1-(3-chloro-5-methylphenyl)decan-1-ol

C17H27ClO — CID 115782985

IUPAC1-(3-chloro-5-methylphenyl)decan-1-ol
SMILESCCCCCCCCCC(O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C17H27ClO/c1-3-4-5-6-7-8-9-10-17(19)15-11-14(2)12-16(18)13-15/h11-13,17,19H,3-10H2,1-2H3
InChIKeyGGQRPOAJVUWHHX-UHFFFAOYSA-N
MW282.86 g/mol
LogP5.82
Rot. Bonds9

About 1-(3-chloro-5-methylphenyl)decan-1-ol

1-(3-chloro-5-methylphenyl)decan-1-ol (PubChem CID 115782985) has the molecular formula C17H27ClO and a molecular weight of 282.86 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)decan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)decan-1-ol
PubChem CID115782985
Molecular FormulaC17H27ClO
Molecular Weight282.86 g/mol
Exact Mass282.18
IUPAC Name1-(3-chloro-5-methylphenyl)decan-1-ol
SMILESCCCCCCCCCC(O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C17H27ClO/c1-3-4-5-6-7-8-9-10-17(19)15-11-14(2)12-16(18)13-15/h11-13,17,19H,3-10H2,1-2H3
InChIKeyGGQRPOAJVUWHHX-UHFFFAOYSA-N
XLogP5.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.86
LogP ≤ 55.82
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-(3,5-dichlorophenyl)hexan-1-ol
CID 65149742
1-(3-chloro-5-methylphenyl)decan-1-amine
CID 115831880
1-(3-chloro-5-methylphenyl)nonan-1-amine
CID 115835851
1-(3-chloro-5-methylphenyl)propan-1-ol
CID 115787792
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
1-(3-methylphenyl)decan-1-ol
CID 63411280
1-(3-chloro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115781994
1-(3-chloro-5-methylphenyl)-2-ethoxyethanol
CID 115818780
1-(4-chloro-3-methylphenyl)nonan-1-ol
CID 115784046
1-(2,4,6-trimethylphenyl)heptan-1-ol
CID 65148082
1-(3-chloro-4-fluorophenyl)nonan-1-ol
CID 63414052

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)decan-1-ol?
The IUPAC name of 1-(3-chloro-5-methylphenyl)decan-1-ol (CID 115782985) is 1-(3-chloro-5-methylphenyl)decan-1-ol.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)decan-1-ol?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)decan-1-ol is CCCCCCCCCC(O)c1cc(C)cc(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)decan-1-ol?
The InChIKey is GGQRPOAJVUWHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClO/c1-3-4-5-6-7-8-9-10-17(19)15-11-14(2)12-16(18)13-15/h11-13,17,19H,3-10H2,1-2H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)decan-1-ol?
1-(3-chloro-5-methylphenyl)decan-1-ol has a molecular weight of 282.86 g/mol, XLogP of 5.82, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methylphenyl)decan-1-ol is sourced from PubChem (CID 115782985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).