1-(2-methoxy-5-methylphenyl)decan-1-ol

C18H30O2 — CID 65427724

IUPAC1-(2-methoxy-5-methylphenyl)decan-1-ol
SMILESCCCCCCCCCC(O)c1cc(C)ccc1OC
InChIInChI=1S/C18H30O2/c1-4-5-6-7-8-9-10-11-17(19)16-14-15(2)12-13-18(16)20-3/h12-14,17,19H,4-11H2,1-3H3
InChIKeyNJJTTXMUTUFUMW-UHFFFAOYSA-N
MW278.44 g/mol
LogP5.18
Rot. Bonds10

About 1-(2-methoxy-5-methylphenyl)decan-1-ol

1-(2-methoxy-5-methylphenyl)decan-1-ol (PubChem CID 65427724) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)decan-1-ol.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)decan-1-ol
PubChem CID65427724
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name1-(2-methoxy-5-methylphenyl)decan-1-ol
SMILESCCCCCCCCCC(O)c1cc(C)ccc1OC
InChIInChI=1S/C18H30O2/c1-4-5-6-7-8-9-10-11-17(19)16-14-15(2)12-13-18(16)20-3/h12-14,17,19H,4-11H2,1-3H3
InChIKeyNJJTTXMUTUFUMW-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

1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
1-(2-methoxy-5-methylphenyl)undecan-1-amine
CID 115845828
1-(2-methoxy-5-methylphenyl)decan-1-amine
CID 65449338
2-(1-chlorodecyl)-1-methoxy-4-methylbenzene
CID 65428310
2-[(1R)-1-hydroxyundecyl]-4-methylphenol
CID 98151788
1-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine
CID 43626415
1-(2-methoxy-5-methylphenyl)decan-2-ol
CID 115781450
1-(2-fluoro-5-methylphenyl)undecan-1-ol
CID 115789089
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol
CID 65433754
methyl 4-hydroxy-4-(2-methoxy-5-methylphenyl)butanoate
CID 82347001
1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol
CID 61080760

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)decan-1-ol?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)decan-1-ol (CID 65427724) is 1-(2-methoxy-5-methylphenyl)decan-1-ol.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)decan-1-ol?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)decan-1-ol is CCCCCCCCCC(O)c1cc(C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)decan-1-ol?
The InChIKey is NJJTTXMUTUFUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-4-5-6-7-8-9-10-11-17(19)16-14-15(2)12-13-18(16)20-3/h12-14,17,19H,4-11H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)decan-1-ol?
1-(2-methoxy-5-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-(2-methoxy-5-methylphenyl)decan-1-ol is sourced from PubChem (CID 65427724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).