1-(4-methoxy-3-methylphenyl)decan-1-ol

C18H30O2 — CID 65148116

IUPAC1-(4-methoxy-3-methylphenyl)decan-1-ol
SMILESCCCCCCCCCC(O)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H30O2/c1-4-5-6-7-8-9-10-11-17(19)16-12-13-18(20-3)15(2)14-16/h12-14,17,19H,4-11H2,1-3H3
InChIKeyPEQKOLSRAUIMIW-UHFFFAOYSA-N
MW278.44 g/mol
LogP5.18
Rot. Bonds10

About 1-(4-methoxy-3-methylphenyl)decan-1-ol

1-(4-methoxy-3-methylphenyl)decan-1-ol (PubChem CID 65148116) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)decan-1-ol.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)decan-1-ol
PubChem CID65148116
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name1-(4-methoxy-3-methylphenyl)decan-1-ol
SMILESCCCCCCCCCC(O)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H30O2/c1-4-5-6-7-8-9-10-11-17(19)16-12-13-18(20-3)15(2)14-16/h12-14,17,19H,4-11H2,1-3H3
InChIKeyPEQKOLSRAUIMIW-UHFFFAOYSA-N
XLogP5.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(4-methoxy-3-methylphenyl)butan-1-ol
CID 39239112
5-(1-hydroxydodecyl)-2-methoxyphenol
CID 139789005
1-(4-methoxy-3-methylphenyl)decan-1-amine
CID 65448006
1-(3-fluoro-4-methoxyphenyl)undecan-1-ol
CID 65151223
4-(1-hydroxyheptyl)-2-methoxyphenol
CID 14035097
1-(4-fluoro-3-methoxyphenyl)nonan-1-ol
CID 115783950
1-(4-chloro-3-methoxyphenyl)decan-1-ol
CID 115817958
1-(4-chloro-3-methoxyphenyl)octan-1-ol
CID 79697126
5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanamide
CID 112510105
1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
CID 43487418
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
(1S,2R)-1-amino-1-(4-methoxy-3-methylphenyl)hexan-2-ol
CID 171270776

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)decan-1-ol?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)decan-1-ol (CID 65148116) is 1-(4-methoxy-3-methylphenyl)decan-1-ol.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)decan-1-ol?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)decan-1-ol is CCCCCCCCCC(O)c1ccc(OC)c(C)c1.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)decan-1-ol?
The InChIKey is PEQKOLSRAUIMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-4-5-6-7-8-9-10-11-17(19)16-12-13-18(20-3)15(2)14-16/h12-14,17,19H,4-11H2,1-3H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)decan-1-ol?
1-(4-methoxy-3-methylphenyl)decan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 5.18, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)decan-1-ol is sourced from PubChem (CID 65148116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).