1-ethyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methoxy-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;N-[2-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]phenyl]formamide

C116H121NO12 — CID 160605680

IUPAC1-ethyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methoxy-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;N-[2-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]phenyl]formamide
SMILESCC(C)c1ccc(Oc2cccc(OCc3ccccc3NC=O)c2)cc1.CCc1cccc(COc2cccc(Oc3ccc(C(C)C)cc3)c2)c1.COc1ccc(COc2cccc(Oc3ccc(C(C)C)cc3)c2)cc1.Cc1ccc(COc2cccc(Oc3ccc(C(C)C)cc3)c2)cc1.Cc1cccc(COc2cccc(Oc3ccc(C(C)C)cc3)c2)c1
InChIInChI=1S/C24H26O2.C23H23NO3.C23H24O3.2C23H24O2/c1-4-19-7-5-8-20(15-19)17-25-23-9-6-10-24(16-23)26-22-13-11-21(12-14-22)18(2)3;1-17(2)18-10-12-20(13-11-18)27-22-8-5-7-21(14-22)26-15-19-6-3-4-9-23(19)24-16-25;1-17(2)19-9-13-21(14-10-19)26-23-6-4-5-22(15-23)25-16-18-7-11-20(24-3)12-8-18;1-17(2)20-10-12-21(13-11-20)25-23-9-5-8-22(15-23)24-16-19-7-4-6-18(3)14-19;1-17(2)20-11-13-21(14-12-20)25-23-6-4-5-22(15-23)24-16-19-9-7-18(3)8-10-19/h5-16,18H,4,17H2,1-3H3;3-14,16-17H,15H2,1-2H3,(H,24,25);4-15,17H,16H2,1-3H3;2*4-15,17H,16H2,1-3H3
InChIKeyREVMPNALDOWYDH-UHFFFAOYSA-N
MW1721.24 g/mol
LogP31.66
Rot. Bonds34

About 1-ethyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methoxy-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;N-[2-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]phenyl]formamide

1-ethyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methoxy-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;N-[2-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]phenyl]formamide (PubChem CID 160605680) has the molecular formula C116H121NO12 and a molecular weight of 1721.24 g/mol. Its IUPAC name is 1-ethyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methoxy-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;N-[2-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]phenyl]formamide.

Molecular Properties

Compound Name1-ethyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methoxy-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;N-[2-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]phenyl]formamide
PubChem CID160605680
Molecular FormulaC116H121NO12
Molecular Weight1721.24 g/mol
Exact Mass1719.89
IUPAC Name1-ethyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methoxy-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;N-[2-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]phenyl]formamide
SMILESCC(C)c1ccc(Oc2cccc(OCc3ccccc3NC=O)c2)cc1.CCc1cccc(COc2cccc(Oc3ccc(C(C)C)cc3)c2)c1.COc1ccc(COc2cccc(Oc3ccc(C(C)C)cc3)c2)cc1.Cc1ccc(COc2cccc(Oc3ccc(C(C)C)cc3)c2)cc1.Cc1cccc(COc2cccc(Oc3ccc(C(C)C)cc3)c2)c1
InChIInChI=1S/C24H26O2.C23H23NO3.C23H24O3.2C23H24O2/c1-4-19-7-5-8-20(15-19)17-25-23-9-6-10-24(16-23)26-22-13-11-21(12-14-22)18(2)3;1-17(2)18-10-12-20(13-11-18)27-22-8-5-7-21(14-22)26-15-19-6-3-4-9-23(19)24-16-25;1-17(2)19-9-13-21(14-10-19)26-23-6-4-5-22(15-23)25-16-18-7-11-20(24-3)12-8-18;1-17(2)20-10-12-21(13-11-20)25-23-9-5-8-22(15-23)24-16-19-7-4-6-18(3)14-19;1-17(2)20-11-13-21(14-12-20)25-23-6-4-5-22(15-23)24-16-19-9-7-18(3)8-10-19/h5-16,18H,4,17H2,1-3H3;3-14,16-17H,15H2,1-2H3,(H,24,25);4-15,17H,16H2,1-3H3;2*4-15,17H,16H2,1-3H3
InChIKeyREVMPNALDOWYDH-UHFFFAOYSA-N
XLogP31.66
TPSA130.63 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds34
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001721.24
LogP ≤ 531.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-ethyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methoxy-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;N-[2-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]phenyl]formamide with MolForge

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Related Compounds

1-ethyl-3-[(4-propan-2-ylphenyl)methoxy]benzene
CID 60644477
ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene
CID 142197636
2-[(3-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene
CID 64765116
1-ethyl-2-[(3-methylphenoxy)methyl]benzene
CID 70995774
2-[[3-(4-methylphenoxy)phenoxy]methyl]aniline
CID 89036380
(3-phenylmethoxyphenyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102519033
1-chloro-4-[(2-methylphenoxy)methyl]benzene;1-ethyl-4-[(2-methylphenoxy)methyl]benzene;1-methoxy-4-[(2-methylphenoxy)methyl]benzene;1-methoxy-4-[(3-methylphenoxy)methyl]benzene;2-methoxy-4-methyl-1-phenylmethoxybenzene;1-methyl-2-[(4-methylphenyl)methoxy]benzene;tetrakis(1-methyl-2-phenylmethoxybenzene)
CID 162210724
1-ethyl-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 59709478
1-ethyl-4-(3-methylphenoxy)benzene
CID 54200256
1-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-(4-methylphenyl)ethanone;sulfur monoxide
CID 159572663
methyl 2-phenylmethoxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 10596554
cumene;ethane;1-ethyl-3-methoxybenzene
CID 171630693

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methoxy-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;N-[2-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]phenyl]formamide?
The IUPAC name of 1-ethyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methoxy-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;N-[2-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]phenyl]formamide (CID 160605680) is 1-ethyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methoxy-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;N-[2-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]phenyl]formamide.
What is the SMILES notation for 1-ethyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methoxy-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;N-[2-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]phenyl]formamide?
The canonical SMILES for 1-ethyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methoxy-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;N-[2-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]phenyl]formamide is CC(C)c1ccc(Oc2cccc(OCc3ccccc3NC=O)c2)cc1.CCc1cccc(COc2cccc(Oc3ccc(C(C)C)cc3)c2)c1.COc1ccc(COc2cccc(Oc3ccc(C(C)C)cc3)c2)cc1.Cc1ccc(COc2cccc(Oc3ccc(C(C)C)cc3)c2)cc1.Cc1cccc(COc2cccc(Oc3ccc(C(C)C)cc3)c2)c1.
What is the InChIKey of 1-ethyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methoxy-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;N-[2-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]phenyl]formamide?
The InChIKey is REVMPNALDOWYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2.C23H23NO3.C23H24O3.2C23H24O2/c1-4-19-7-5-8-20(15-19)17-25-23-9-6-10-24(16-23)26-22-13-11-21(12-14-22)18(2)3;1-17(2)18-10-12-20(13-11-18)27-22-8-5-7-21(14-22)26-15-19-6-3-4-9-23(19)24-16-25;1-17(2)19-9-13-21(14-10-19)26-23-6-4-5-22(15-23)25-16-18-7-11-20(24-3)12-8-18;1-17(2)20-10-12-21(13-11-20)25-23-9-5-8-22(15-23)24-16-19-7-4-6-18(3)14-19;1-17(2)20-11-13-21(14-12-20)25-23-6-4-5-22(15-23)24-16-19-9-7-18(3)8-10-19/h5-16,18H,4,17H2,1-3H3;3-14,16-17H,15H2,1-2H3,(H,24,25);4-15,17H,16H2,1-3H3;2*4-15,17H,16H2,1-3H3.
What are the key properties of 1-ethyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methoxy-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;N-[2-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]phenyl]formamide?
1-ethyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methoxy-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;N-[2-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]phenyl]formamide has a molecular weight of 1721.24 g/mol, XLogP of 31.66, 34 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methoxy-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-3-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;1-methyl-4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]benzene;N-[2-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]phenyl]formamide is sourced from PubChem (CID 160605680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).