1-[4-(hydroxymethyl)-2-methylphenyl]decan-1-ol

C18H30O2 — CID 68811128

IUPAC1-[4-(hydroxymethyl)-2-methylphenyl]decan-1-ol
SMILESCCCCCCCCCC(O)c1ccc(CO)cc1C
InChIInChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-18(20)17-12-11-16(14-19)13-15(17)2/h11-13,18-20H,3-10,14H2,1-2H3
InChIKeyZFBMAOVIFDQVJY-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.66
Rot. Bonds10

About 1-[4-(hydroxymethyl)-2-methylphenyl]decan-1-ol

1-[4-(hydroxymethyl)-2-methylphenyl]decan-1-ol (PubChem CID 68811128) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-2-methylphenyl]decan-1-ol.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-2-methylphenyl]decan-1-ol
PubChem CID68811128
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name1-[4-(hydroxymethyl)-2-methylphenyl]decan-1-ol
SMILESCCCCCCCCCC(O)c1ccc(CO)cc1C
InChIInChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-18(20)17-12-11-16(14-19)13-15(17)2/h11-13,18-20H,3-10,14H2,1-2H3
InChIKeyZFBMAOVIFDQVJY-UHFFFAOYSA-N
XLogP4.66
TPSA40.46 Ų
H-Bond Donors2
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 ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxy-2-methylphenyl)octan-1-ol
CID 61101302
1-(5-bromo-2-methylphenyl)octan-1-ol
CID 115783049
1-(5-bromo-2-methylphenyl)decan-1-ol
CID 115782829
1-(4-methylnaphthalen-1-yl)heptan-1-ol
CID 114753428
1-(5-chloro-2-methylphenyl)decan-1-ol
CID 115783029
2,4-dimethyl-1-undecan-5-ylbenzene
CID 123380808
1-(2,3-dimethylphenyl)octan-1-ol
CID 63900365
2-[(1R)-1-hydroxyundecyl]-4-methylphenol
CID 98151788
1-(2,6-dimethyl-3-pyridinyl)nonan-1-ol
CID 105085795
1-(2-fluoro-3-methylphenyl)undecan-1-ol
CID 115789168
1-(4-methyl-3-pyridinyl)octan-1-ol
CID 66273519
1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol
CID 61080760

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-2-methylphenyl]decan-1-ol?
The IUPAC name of 1-[4-(hydroxymethyl)-2-methylphenyl]decan-1-ol (CID 68811128) is 1-[4-(hydroxymethyl)-2-methylphenyl]decan-1-ol.
What is the SMILES notation for 1-[4-(hydroxymethyl)-2-methylphenyl]decan-1-ol?
The canonical SMILES for 1-[4-(hydroxymethyl)-2-methylphenyl]decan-1-ol is CCCCCCCCCC(O)c1ccc(CO)cc1C.
What is the InChIKey of 1-[4-(hydroxymethyl)-2-methylphenyl]decan-1-ol?
The InChIKey is ZFBMAOVIFDQVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-18(20)17-12-11-16(14-19)13-15(17)2/h11-13,18-20H,3-10,14H2,1-2H3.
What are the key properties of 1-[4-(hydroxymethyl)-2-methylphenyl]decan-1-ol?
1-[4-(hydroxymethyl)-2-methylphenyl]decan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 4.66, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-2-methylphenyl]decan-1-ol is sourced from PubChem (CID 68811128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).