1-(4-methylnaphthalen-1-yl)heptan-1-ol

C18H24O — CID 114753428

IUPAC1-(4-methylnaphthalen-1-yl)heptan-1-ol
SMILESCCCCCCC(O)c1ccc(C)c2ccccc12
InChIInChI=1S/C18H24O/c1-3-4-5-6-11-18(19)17-13-12-14(2)15-9-7-8-10-16(15)17/h7-10,12-13,18-19H,3-6,11H2,1-2H3
InChIKeyITBWIROHABLDIZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP5.15
Rot. Bonds6

About 1-(4-methylnaphthalen-1-yl)heptan-1-ol

1-(4-methylnaphthalen-1-yl)heptan-1-ol (PubChem CID 114753428) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(4-methylnaphthalen-1-yl)heptan-1-ol.

Molecular Properties

Compound Name1-(4-methylnaphthalen-1-yl)heptan-1-ol
PubChem CID114753428
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name1-(4-methylnaphthalen-1-yl)heptan-1-ol
SMILESCCCCCCC(O)c1ccc(C)c2ccccc12
InChIInChI=1S/C18H24O/c1-3-4-5-6-11-18(19)17-13-12-14(2)15-9-7-8-10-16(15)17/h7-10,12-13,18-19H,3-6,11H2,1-2H3
InChIKeyITBWIROHABLDIZ-UHFFFAOYSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.39
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloronaphthalen-1-yl)nonan-1-ol
CID 79592377
1-(4-methylnaphthalen-1-yl)propan-1-ol
CID 10856503
(1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine
CID 171228529
1-(4-methoxynaphthalen-1-yl)octan-1-ol
CID 63426458
(1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride
CID 171208944
1-(2-methoxy-3,4-dimethylphenyl)decan-1-ol
CID 103435642
(1R,2S)-1-amino-1-(4-methylnaphthalen-1-yl)pentan-2-ol;hydrochloride
CID 171263797
3-methyl-1-(4-methylnaphthalen-1-yl)butan-1-ol
CID 57071428
1-(2,3-dimethylphenyl)octan-1-ol
CID 63900365
1-(2-fluoro-3-methylphenyl)undecan-1-ol
CID 115789168
1-(5-bromo-2-methylphenyl)octan-1-ol
CID 115783049
1-(5-bromo-2-methylphenyl)decan-1-ol
CID 115782829

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylnaphthalen-1-yl)heptan-1-ol?
The IUPAC name of 1-(4-methylnaphthalen-1-yl)heptan-1-ol (CID 114753428) is 1-(4-methylnaphthalen-1-yl)heptan-1-ol.
What is the SMILES notation for 1-(4-methylnaphthalen-1-yl)heptan-1-ol?
The canonical SMILES for 1-(4-methylnaphthalen-1-yl)heptan-1-ol is CCCCCCC(O)c1ccc(C)c2ccccc12.
What is the InChIKey of 1-(4-methylnaphthalen-1-yl)heptan-1-ol?
The InChIKey is ITBWIROHABLDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-3-4-5-6-11-18(19)17-13-12-14(2)15-9-7-8-10-16(15)17/h7-10,12-13,18-19H,3-6,11H2,1-2H3.
What are the key properties of 1-(4-methylnaphthalen-1-yl)heptan-1-ol?
1-(4-methylnaphthalen-1-yl)heptan-1-ol has a molecular weight of 256.39 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylnaphthalen-1-yl)heptan-1-ol is sourced from PubChem (CID 114753428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).