1-(4-methylphenyl)dodecan-3-ol

C19H32O — CID 105084894

IUPAC1-(4-methylphenyl)dodecan-3-ol
SMILESCCCCCCCCCC(O)CCc1ccc(C)cc1
InChIInChI=1S/C19H32O/c1-3-4-5-6-7-8-9-10-19(20)16-15-18-13-11-17(2)12-14-18/h11-14,19-20H,3-10,15-16H2,1-2H3
InChIKeyNHUSGUPURFJVSS-UHFFFAOYSA-N
MW276.46 g/mol
LogP5.43
Rot. Bonds11

About 1-(4-methylphenyl)dodecan-3-ol

1-(4-methylphenyl)dodecan-3-ol (PubChem CID 105084894) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 1-(4-methylphenyl)dodecan-3-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)dodecan-3-ol
PubChem CID105084894
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name1-(4-methylphenyl)dodecan-3-ol
SMILESCCCCCCCCCC(O)CCc1ccc(C)cc1
InChIInChI=1S/C19H32O/c1-3-4-5-6-7-8-9-10-19(20)16-15-18-13-11-17(2)12-14-18/h11-14,19-20H,3-10,15-16H2,1-2H3
InChIKeyNHUSGUPURFJVSS-UHFFFAOYSA-N
XLogP5.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 55.43
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

1-(4-methylphenyl)octan-2-ol
CID 62607878
1-(4-methoxyphenyl)nonan-3-ol
CID 65444716
1-(3-methylphenyl)nonan-3-ol
CID 105085389
1-(4-methylphenyl)decan-3-amine
CID 105125085
1-methyl-4-octylbenzene
CID 11052746
1-(2-methylphenyl)decan-3-ol
CID 105085012
1-phenylheptan-3-ol
CID 10420110
(3R,5R)-1-(4-methoxyphenyl)undecane-3,5-diol
CID 154712075
octane;octan-2-ol;bis(1,4-xylene)
CID 161441445
1,4-bis(4-methylphenyl)butan-2-ol
CID 63016226
1-(4-methylphenyl)nonan-3-ylhydrazine
CID 105293919
1-methyl-4-(4-methylnonyl)benzene
CID 59776274

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)dodecan-3-ol?
The IUPAC name of 1-(4-methylphenyl)dodecan-3-ol (CID 105084894) is 1-(4-methylphenyl)dodecan-3-ol.
What is the SMILES notation for 1-(4-methylphenyl)dodecan-3-ol?
The canonical SMILES for 1-(4-methylphenyl)dodecan-3-ol is CCCCCCCCCC(O)CCc1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)dodecan-3-ol?
The InChIKey is NHUSGUPURFJVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-3-4-5-6-7-8-9-10-19(20)16-15-18-13-11-17(2)12-14-18/h11-14,19-20H,3-10,15-16H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)dodecan-3-ol?
1-(4-methylphenyl)dodecan-3-ol has a molecular weight of 276.46 g/mol, XLogP of 5.43, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)dodecan-3-ol is sourced from PubChem (CID 105084894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).