1-[(2-methyl-4-phenylbutan-2-yl)oxymethoxymethyl]naphthalene

C23H26O2 — CID 132575857

IUPAC1-[(2-methyl-4-phenylbutan-2-yl)oxymethoxymethyl]naphthalene
SMILESCC(C)(CCc1ccccc1)OCOCc1cccc2ccccc12
InChIInChI=1S/C23H26O2/c1-23(2,16-15-19-9-4-3-5-10-19)25-18-24-17-21-13-8-12-20-11-6-7-14-22(20)21/h3-14H,15-18H2,1-2H3
InChIKeyTVDJJTLWQOURPW-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.74
Rot. Bonds8

About 1-[(2-methyl-4-phenylbutan-2-yl)oxymethoxymethyl]naphthalene

1-[(2-methyl-4-phenylbutan-2-yl)oxymethoxymethyl]naphthalene (PubChem CID 132575857) has the molecular formula C23H26O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[(2-methyl-4-phenylbutan-2-yl)oxymethoxymethyl]naphthalene.

Molecular Properties

Compound Name1-[(2-methyl-4-phenylbutan-2-yl)oxymethoxymethyl]naphthalene
PubChem CID132575857
Molecular FormulaC23H26O2
Molecular Weight334.46 g/mol
Exact Mass334.19
IUPAC Name1-[(2-methyl-4-phenylbutan-2-yl)oxymethoxymethyl]naphthalene
SMILESCC(C)(CCc1ccccc1)OCOCc1cccc2ccccc12
InChIInChI=1S/C23H26O2/c1-23(2,16-15-19-9-4-3-5-10-19)25-18-24-17-21-13-8-12-20-11-6-7-14-22(20)21/h3-14H,15-18H2,1-2H3
InChIKeyTVDJJTLWQOURPW-UHFFFAOYSA-N
XLogP5.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenylmethoxyethyl)naphthalene
CID 71507589
1-(2-methoxypropan-2-yloxymethyl)naphthalene
CID 141195925
(3-hydroperoxy-3-methylbutyl)benzene
CID 12643770
1-(methoxymethoxymethyl)-2,3-bis(phenylmethoxy)benzene
CID 86164113
CID 54567546
CID 54567546
1-(phenoxymethyl)naphthalene
CID 588110
1-benzylnaphthalene;N-methylmethanamine
CID 70612820
bis(2-methyl-4-phenylbutan-2-yl) oxalate
CID 163946478
1-(hexoxymethyl)naphthalene
CID 18427527
1-benzylnaphthalene;ethane;2-methoxy-2-methyltridecane
CID 158937416
[5-(3,3-dimethyl-5-phenylpentoxy)-3,3-dimethylpentyl]benzene
CID 174996327
1-(benzylselanylmethyl)naphthalene
CID 154058407

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-4-phenylbutan-2-yl)oxymethoxymethyl]naphthalene?
The IUPAC name of 1-[(2-methyl-4-phenylbutan-2-yl)oxymethoxymethyl]naphthalene (CID 132575857) is 1-[(2-methyl-4-phenylbutan-2-yl)oxymethoxymethyl]naphthalene.
What is the SMILES notation for 1-[(2-methyl-4-phenylbutan-2-yl)oxymethoxymethyl]naphthalene?
The canonical SMILES for 1-[(2-methyl-4-phenylbutan-2-yl)oxymethoxymethyl]naphthalene is CC(C)(CCc1ccccc1)OCOCc1cccc2ccccc12.
What is the InChIKey of 1-[(2-methyl-4-phenylbutan-2-yl)oxymethoxymethyl]naphthalene?
The InChIKey is TVDJJTLWQOURPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O2/c1-23(2,16-15-19-9-4-3-5-10-19)25-18-24-17-21-13-8-12-20-11-6-7-14-22(20)21/h3-14H,15-18H2,1-2H3.
What are the key properties of 1-[(2-methyl-4-phenylbutan-2-yl)oxymethoxymethyl]naphthalene?
1-[(2-methyl-4-phenylbutan-2-yl)oxymethoxymethyl]naphthalene has a molecular weight of 334.46 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-4-phenylbutan-2-yl)oxymethoxymethyl]naphthalene is sourced from PubChem (CID 132575857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).