1-butan-2-yl-5-[1-(2-cyclohexylethoxy)ethoxy]naphthalene;1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;2-butan-2-yl-6-(cyclohexyloxymethoxy)naphthalene;1-butan-2-yl-4-(2,2-dimethyl-1-phenoxypropoxy)benzene;1-butan-2-yl-4-[methoxy(phenyl)methoxy]benzene;1-butan-2-yl-3-(3-methyl-2-phenoxybutyl)benzene;2-butan-2-yl-6-(phenoxymethoxy)naphthalene

C162H218O15 — CID 162109662

IUPAC1-butan-2-yl-5-[1-(2-cyclohexylethoxy)ethoxy]naphthalene;1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;2-butan-2-yl-6-(cyclohexyloxymethoxy)naphthalene;1-butan-2-yl-4-(2,2-dimethyl-1-phenoxypropoxy)benzene;1-butan-2-yl-4-[methoxy(phenyl)methoxy]benzene;1-butan-2-yl-3-(3-methyl-2-phenoxybutyl)benzene;2-butan-2-yl-6-(phenoxymethoxy)naphthalene
SMILESCCC(C)c1ccc(OC(OC)c2ccccc2)cc1.CCC(C)c1ccc(OC(Oc2ccccc2)C(C)(C)C)cc1.CCC(C)c1ccc(OCOC2CCCCC2)cc1.CCC(C)c1ccc(OCOCCC2CCCCC2)cc1.CCC(C)c1ccc2cc(OCOC3CCCCC3)ccc2c1.CCC(C)c1ccc2cc(OCOc3ccccc3)ccc2c1.CCC(C)c1cccc(CC(Oc2ccccc2)C(C)C)c1.CCC(C)c1cccc2c(OC(C)OCCC3CCCCC3)cccc12
InChIInChI=1S/C24H34O2.C21H28O2.C21H22O2.C21H28O2.C21H28O.C19H30O2.C18H22O2.C17H26O2/c1-4-18(2)21-12-8-14-23-22(21)13-9-15-24(23)26-19(3)25-17-16-20-10-6-5-7-11-20;2*1-3-16(2)17-9-10-19-14-21(12-11-18(19)13-17)23-15-22-20-7-5-4-6-8-20;1-6-16(2)17-12-14-19(15-13-17)23-20(21(3,4)5)22-18-10-8-7-9-11-18;1-5-17(4)19-11-9-10-18(14-19)15-21(16(2)3)22-20-12-7-6-8-13-20;1-3-16(2)18-9-11-19(12-10-18)21-15-20-14-13-17-7-5-4-6-8-17;1-4-14(2)15-10-12-17(13-11-15)20-18(19-3)16-8-6-5-7-9-16;1-3-14(2)15-9-11-17(12-10-15)19-13-18-16-7-5-4-6-8-16/h8-9,12-15,18-20H,4-7,10-11,16-17H2,1-3H3;9-14,16,20H,3-8,15H2,1-2H3;4-14,16H,3,15H2,1-2H3;7-16,20H,6H2,1-5H3;6-14,16-17,21H,5,15H2,1-4H3;9-12,16-17H,3-8,13-15H2,1-2H3;5-14,18H,4H2,1-3H3;9-12,14,16H,3-8,13H2,1-2H3
InChIKeyZFZCWFBRFPPRFA-UHFFFAOYSA-N
MW2405.51 g/mol
LogP46.08
Rot. Bonds53

About 1-butan-2-yl-5-[1-(2-cyclohexylethoxy)ethoxy]naphthalene;1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;2-butan-2-yl-6-(cyclohexyloxymethoxy)naphthalene;1-butan-2-yl-4-(2,2-dimethyl-1-phenoxypropoxy)benzene;1-butan-2-yl-4-[methoxy(phenyl)methoxy]benzene;1-butan-2-yl-3-(3-methyl-2-phenoxybutyl)benzene;2-butan-2-yl-6-(phenoxymethoxy)naphthalene

1-butan-2-yl-5-[1-(2-cyclohexylethoxy)ethoxy]naphthalene;1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;2-butan-2-yl-6-(cyclohexyloxymethoxy)naphthalene;1-butan-2-yl-4-(2,2-dimethyl-1-phenoxypropoxy)benzene;1-butan-2-yl-4-[methoxy(phenyl)methoxy]benzene;1-butan-2-yl-3-(3-methyl-2-phenoxybutyl)benzene;2-butan-2-yl-6-(phenoxymethoxy)naphthalene (PubChem CID 162109662) has the molecular formula C162H218O15 and a molecular weight of 2405.51 g/mol. Its IUPAC name is 1-butan-2-yl-5-[1-(2-cyclohexylethoxy)ethoxy]naphthalene;1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;2-butan-2-yl-6-(cyclohexyloxymethoxy)naphthalene;1-butan-2-yl-4-(2,2-dimethyl-1-phenoxypropoxy)benzene;1-butan-2-yl-4-[methoxy(phenyl)methoxy]benzene;1-butan-2-yl-3-(3-methyl-2-phenoxybutyl)benzene;2-butan-2-yl-6-(phenoxymethoxy)naphthalene.

Molecular Properties

Compound Name1-butan-2-yl-5-[1-(2-cyclohexylethoxy)ethoxy]naphthalene;1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;2-butan-2-yl-6-(cyclohexyloxymethoxy)naphthalene;1-butan-2-yl-4-(2,2-dimethyl-1-phenoxypropoxy)benzene;1-butan-2-yl-4-[methoxy(phenyl)methoxy]benzene;1-butan-2-yl-3-(3-methyl-2-phenoxybutyl)benzene;2-butan-2-yl-6-(phenoxymethoxy)naphthalene
PubChem CID162109662
Molecular FormulaC162H218O15
Molecular Weight2405.51 g/mol
Exact Mass2403.63
IUPAC Name1-butan-2-yl-5-[1-(2-cyclohexylethoxy)ethoxy]naphthalene;1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;2-butan-2-yl-6-(cyclohexyloxymethoxy)naphthalene;1-butan-2-yl-4-(2,2-dimethyl-1-phenoxypropoxy)benzene;1-butan-2-yl-4-[methoxy(phenyl)methoxy]benzene;1-butan-2-yl-3-(3-methyl-2-phenoxybutyl)benzene;2-butan-2-yl-6-(phenoxymethoxy)naphthalene
SMILESCCC(C)c1ccc(OC(OC)c2ccccc2)cc1.CCC(C)c1ccc(OC(Oc2ccccc2)C(C)(C)C)cc1.CCC(C)c1ccc(OCOC2CCCCC2)cc1.CCC(C)c1ccc(OCOCCC2CCCCC2)cc1.CCC(C)c1ccc2cc(OCOC3CCCCC3)ccc2c1.CCC(C)c1ccc2cc(OCOc3ccccc3)ccc2c1.CCC(C)c1cccc(CC(Oc2ccccc2)C(C)C)c1.CCC(C)c1cccc2c(OC(C)OCCC3CCCCC3)cccc12
InChIInChI=1S/C24H34O2.C21H28O2.C21H22O2.C21H28O2.C21H28O.C19H30O2.C18H22O2.C17H26O2/c1-4-18(2)21-12-8-14-23-22(21)13-9-15-24(23)26-19(3)25-17-16-20-10-6-5-7-11-20;2*1-3-16(2)17-9-10-19-14-21(12-11-18(19)13-17)23-15-22-20-7-5-4-6-8-20;1-6-16(2)17-12-14-19(15-13-17)23-20(21(3,4)5)22-18-10-8-7-9-11-18;1-5-17(4)19-11-9-10-18(14-19)15-21(16(2)3)22-20-12-7-6-8-13-20;1-3-16(2)18-9-11-19(12-10-18)21-15-20-14-13-17-7-5-4-6-8-17;1-4-14(2)15-10-12-17(13-11-15)20-18(19-3)16-8-6-5-7-9-16;1-3-14(2)15-9-11-17(12-10-15)19-13-18-16-7-5-4-6-8-16/h8-9,12-15,18-20H,4-7,10-11,16-17H2,1-3H3;9-14,16,20H,3-8,15H2,1-2H3;4-14,16H,3,15H2,1-2H3;7-16,20H,6H2,1-5H3;6-14,16-17,21H,5,15H2,1-4H3;9-12,16-17H,3-8,13-15H2,1-2H3;5-14,18H,4H2,1-3H3;9-12,14,16H,3-8,13H2,1-2H3
InChIKeyZFZCWFBRFPPRFA-UHFFFAOYSA-N
XLogP46.08
TPSA138.45 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds53
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002405.51
LogP ≤ 546.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-butan-2-yl-5-[1-(2-cyclohexylethoxy)ethoxy]naphthalene;1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;2-butan-2-yl-6-(cyclohexyloxymethoxy)naphthalene;1-butan-2-yl-4-(2,2-dimethyl-1-phenoxypropoxy)benzene;1-butan-2-yl-4-[methoxy(phenyl)methoxy]benzene;1-butan-2-yl-3-(3-methyl-2-phenoxybutyl)benzene;2-butan-2-yl-6-(phenoxymethoxy)naphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-[1-(2-cyclohexylethoxy)ethoxy]naphthalene;1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;2-butan-2-yl-6-(cyclohexyloxymethoxy)naphthalene;1-butan-2-yl-4-(2,2-dimethyl-1-phenoxypropoxy)benzene;1-butan-2-yl-4-[methoxy(phenyl)methoxy]benzene;1-butan-2-yl-3-(3-methyl-2-phenoxybutyl)benzene;2-butan-2-yl-6-(phenoxymethoxy)naphthalene?
The IUPAC name of 1-butan-2-yl-5-[1-(2-cyclohexylethoxy)ethoxy]naphthalene;1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;2-butan-2-yl-6-(cyclohexyloxymethoxy)naphthalene;1-butan-2-yl-4-(2,2-dimethyl-1-phenoxypropoxy)benzene;1-butan-2-yl-4-[methoxy(phenyl)methoxy]benzene;1-butan-2-yl-3-(3-methyl-2-phenoxybutyl)benzene;2-butan-2-yl-6-(phenoxymethoxy)naphthalene (CID 162109662) is 1-butan-2-yl-5-[1-(2-cyclohexylethoxy)ethoxy]naphthalene;1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;2-butan-2-yl-6-(cyclohexyloxymethoxy)naphthalene;1-butan-2-yl-4-(2,2-dimethyl-1-phenoxypropoxy)benzene;1-butan-2-yl-4-[methoxy(phenyl)methoxy]benzene;1-butan-2-yl-3-(3-methyl-2-phenoxybutyl)benzene;2-butan-2-yl-6-(phenoxymethoxy)naphthalene.
What is the SMILES notation for 1-butan-2-yl-5-[1-(2-cyclohexylethoxy)ethoxy]naphthalene;1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;2-butan-2-yl-6-(cyclohexyloxymethoxy)naphthalene;1-butan-2-yl-4-(2,2-dimethyl-1-phenoxypropoxy)benzene;1-butan-2-yl-4-[methoxy(phenyl)methoxy]benzene;1-butan-2-yl-3-(3-methyl-2-phenoxybutyl)benzene;2-butan-2-yl-6-(phenoxymethoxy)naphthalene?
The canonical SMILES for 1-butan-2-yl-5-[1-(2-cyclohexylethoxy)ethoxy]naphthalene;1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;2-butan-2-yl-6-(cyclohexyloxymethoxy)naphthalene;1-butan-2-yl-4-(2,2-dimethyl-1-phenoxypropoxy)benzene;1-butan-2-yl-4-[methoxy(phenyl)methoxy]benzene;1-butan-2-yl-3-(3-methyl-2-phenoxybutyl)benzene;2-butan-2-yl-6-(phenoxymethoxy)naphthalene is CCC(C)c1ccc(OC(OC)c2ccccc2)cc1.CCC(C)c1ccc(OC(Oc2ccccc2)C(C)(C)C)cc1.CCC(C)c1ccc(OCOC2CCCCC2)cc1.CCC(C)c1ccc(OCOCCC2CCCCC2)cc1.CCC(C)c1ccc2cc(OCOC3CCCCC3)ccc2c1.CCC(C)c1ccc2cc(OCOc3ccccc3)ccc2c1.CCC(C)c1cccc(CC(Oc2ccccc2)C(C)C)c1.CCC(C)c1cccc2c(OC(C)OCCC3CCCCC3)cccc12.
What is the InChIKey of 1-butan-2-yl-5-[1-(2-cyclohexylethoxy)ethoxy]naphthalene;1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;2-butan-2-yl-6-(cyclohexyloxymethoxy)naphthalene;1-butan-2-yl-4-(2,2-dimethyl-1-phenoxypropoxy)benzene;1-butan-2-yl-4-[methoxy(phenyl)methoxy]benzene;1-butan-2-yl-3-(3-methyl-2-phenoxybutyl)benzene;2-butan-2-yl-6-(phenoxymethoxy)naphthalene?
The InChIKey is ZFZCWFBRFPPRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2.C21H28O2.C21H22O2.C21H28O2.C21H28O.C19H30O2.C18H22O2.C17H26O2/c1-4-18(2)21-12-8-14-23-22(21)13-9-15-24(23)26-19(3)25-17-16-20-10-6-5-7-11-20;2*1-3-16(2)17-9-10-19-14-21(12-11-18(19)13-17)23-15-22-20-7-5-4-6-8-20;1-6-16(2)17-12-14-19(15-13-17)23-20(21(3,4)5)22-18-10-8-7-9-11-18;1-5-17(4)19-11-9-10-18(14-19)15-21(16(2)3)22-20-12-7-6-8-13-20;1-3-16(2)18-9-11-19(12-10-18)21-15-20-14-13-17-7-5-4-6-8-17;1-4-14(2)15-10-12-17(13-11-15)20-18(19-3)16-8-6-5-7-9-16;1-3-14(2)15-9-11-17(12-10-15)19-13-18-16-7-5-4-6-8-16/h8-9,12-15,18-20H,4-7,10-11,16-17H2,1-3H3;9-14,16,20H,3-8,15H2,1-2H3;4-14,16H,3,15H2,1-2H3;7-16,20H,6H2,1-5H3;6-14,16-17,21H,5,15H2,1-4H3;9-12,16-17H,3-8,13-15H2,1-2H3;5-14,18H,4H2,1-3H3;9-12,14,16H,3-8,13H2,1-2H3.
What are the key properties of 1-butan-2-yl-5-[1-(2-cyclohexylethoxy)ethoxy]naphthalene;1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;2-butan-2-yl-6-(cyclohexyloxymethoxy)naphthalene;1-butan-2-yl-4-(2,2-dimethyl-1-phenoxypropoxy)benzene;1-butan-2-yl-4-[methoxy(phenyl)methoxy]benzene;1-butan-2-yl-3-(3-methyl-2-phenoxybutyl)benzene;2-butan-2-yl-6-(phenoxymethoxy)naphthalene?
1-butan-2-yl-5-[1-(2-cyclohexylethoxy)ethoxy]naphthalene;1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;2-butan-2-yl-6-(cyclohexyloxymethoxy)naphthalene;1-butan-2-yl-4-(2,2-dimethyl-1-phenoxypropoxy)benzene;1-butan-2-yl-4-[methoxy(phenyl)methoxy]benzene;1-butan-2-yl-3-(3-methyl-2-phenoxybutyl)benzene;2-butan-2-yl-6-(phenoxymethoxy)naphthalene has a molecular weight of 2405.51 g/mol, XLogP of 46.08, 53 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-[1-(2-cyclohexylethoxy)ethoxy]naphthalene;1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;2-butan-2-yl-6-(cyclohexyloxymethoxy)naphthalene;1-butan-2-yl-4-(2,2-dimethyl-1-phenoxypropoxy)benzene;1-butan-2-yl-4-[methoxy(phenyl)methoxy]benzene;1-butan-2-yl-3-(3-methyl-2-phenoxybutyl)benzene;2-butan-2-yl-6-(phenoxymethoxy)naphthalene is sourced from PubChem (CID 162109662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).