1-(2-methylphenyl)decan-3-ol

C17H28O — CID 105085012

IUPAC1-(2-methylphenyl)decan-3-ol
SMILESCCCCCCCC(O)CCc1ccccc1C
InChIInChI=1S/C17H28O/c1-3-4-5-6-7-12-17(18)14-13-16-11-9-8-10-15(16)2/h8-11,17-18H,3-7,12-14H2,1-2H3
InChIKeyXIXIGNWQCSKWBQ-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.65
Rot. Bonds9

About 1-(2-methylphenyl)decan-3-ol

1-(2-methylphenyl)decan-3-ol (PubChem CID 105085012) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-(2-methylphenyl)decan-3-ol.

Molecular Properties

Compound Name1-(2-methylphenyl)decan-3-ol
PubChem CID105085012
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name1-(2-methylphenyl)decan-3-ol
SMILESCCCCCCCC(O)CCc1ccccc1C
InChIInChI=1S/C17H28O/c1-3-4-5-6-7-12-17(18)14-13-16-11-9-8-10-15(16)2/h8-11,17-18H,3-7,12-14H2,1-2H3
InChIKeyXIXIGNWQCSKWBQ-UHFFFAOYSA-N
XLogP4.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.65
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

6-(2-methylphenyl)hexan-3-ol
CID 64514172
1-(2-methylphenyl)heptan-3-amine
CID 105125604
1-(4-methylphenyl)dodecan-3-ol
CID 105084894
1-methyl-2-pentylbenzene
CID 524553
4-(2-methylphenyl)-1-propoxybutan-2-ol
CID 105111883
N-methyl-1-(2-methylphenyl)octan-3-amine
CID 105129664
1-(2-methylphenyl)-N-propyldecan-3-amine
CID 105125070
sodium;1-heptadecyl-2-methylbenzene;hydride
CID 173344564
1-(3-methylphenyl)nonan-3-ol
CID 105085389
1-phenylheptan-3-ol
CID 10420110
4-(2-methylphenyl)-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 105084187
1-(4-ethylphenyl)-4-(2-methylphenyl)butan-2-ol
CID 105080198

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)decan-3-ol?
The IUPAC name of 1-(2-methylphenyl)decan-3-ol (CID 105085012) is 1-(2-methylphenyl)decan-3-ol.
What is the SMILES notation for 1-(2-methylphenyl)decan-3-ol?
The canonical SMILES for 1-(2-methylphenyl)decan-3-ol is CCCCCCCC(O)CCc1ccccc1C.
What is the InChIKey of 1-(2-methylphenyl)decan-3-ol?
The InChIKey is XIXIGNWQCSKWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-3-4-5-6-7-12-17(18)14-13-16-11-9-8-10-15(16)2/h8-11,17-18H,3-7,12-14H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)decan-3-ol?
1-(2-methylphenyl)decan-3-ol has a molecular weight of 248.41 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)decan-3-ol is sourced from PubChem (CID 105085012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).