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

C18H30O2 — CID 115781450

IUPAC1-(2-methoxy-5-methylphenyl)decan-2-ol
SMILESCCCCCCCCC(O)Cc1cc(C)ccc1OC
InChIInChI=1S/C18H30O2/c1-4-5-6-7-8-9-10-17(19)14-16-13-15(2)11-12-18(16)20-3/h11-13,17,19H,4-10,14H2,1-3H3
InChIKeyMEFOUISSNOCMCF-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.66
Rot. Bonds10

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

1-(2-methoxy-5-methylphenyl)decan-2-ol (PubChem CID 115781450) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)decan-2-ol.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)decan-2-ol
PubChem CID115781450
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name1-(2-methoxy-5-methylphenyl)decan-2-ol
SMILESCCCCCCCCC(O)Cc1cc(C)ccc1OC
InChIInChI=1S/C18H30O2/c1-4-5-6-7-8-9-10-17(19)14-16-13-15(2)11-12-18(16)20-3/h11-13,17,19H,4-10,14H2,1-3H3
InChIKeyMEFOUISSNOCMCF-UHFFFAOYSA-N
XLogP4.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.66
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-(5-bromo-2-methoxyphenyl)undecan-2-ol
CID 115779222
1-(2-methoxy-5-methylphenyl)undecan-2-amine
CID 115826519
4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol
CID 62161184
1-(2-methoxy-5-methylphenyl)-N-propyloctan-2-amine
CID 115826522
1-(2-methoxy-5-methylphenyl)hexane-2,3-diol
CID 103454840
1-(2-methoxy-5-methylphenyl)decan-1-ol
CID 65427724
1-(2-methoxyphenyl)hexan-2-ol
CID 62607835
1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
CID 62161527
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene
CID 144898289
3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid
CID 82080605

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)decan-2-ol?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)decan-2-ol (CID 115781450) is 1-(2-methoxy-5-methylphenyl)decan-2-ol.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)decan-2-ol?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)decan-2-ol is CCCCCCCCC(O)Cc1cc(C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)decan-2-ol?
The InChIKey is MEFOUISSNOCMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-4-5-6-7-8-9-10-17(19)14-16-13-15(2)11-12-18(16)20-3/h11-13,17,19H,4-10,14H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)decan-2-ol?
1-(2-methoxy-5-methylphenyl)decan-2-ol has a molecular weight of 278.44 g/mol, XLogP of 4.66, 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-2-ol is sourced from PubChem (CID 115781450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).