1-(4-chloro-3-methylphenyl)nonan-1-ol

C16H25ClO — CID 115784046

IUPAC1-(4-chloro-3-methylphenyl)nonan-1-ol
SMILESCCCCCCCCC(O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C16H25ClO/c1-3-4-5-6-7-8-9-16(18)14-10-11-15(17)13(2)12-14/h10-12,16,18H,3-9H2,1-2H3
InChIKeyUAPJZLKJAUFQKU-UHFFFAOYSA-N
MW268.83 g/mol
LogP5.43
Rot. Bonds8

About 1-(4-chloro-3-methylphenyl)nonan-1-ol

1-(4-chloro-3-methylphenyl)nonan-1-ol (PubChem CID 115784046) has the molecular formula C16H25ClO and a molecular weight of 268.83 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)nonan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)nonan-1-ol
PubChem CID115784046
Molecular FormulaC16H25ClO
Molecular Weight268.83 g/mol
Exact Mass268.16
IUPAC Name1-(4-chloro-3-methylphenyl)nonan-1-ol
SMILESCCCCCCCCC(O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C16H25ClO/c1-3-4-5-6-7-8-9-16(18)14-10-11-15(17)13(2)12-14/h10-12,16,18H,3-9H2,1-2H3
InChIKeyUAPJZLKJAUFQKU-UHFFFAOYSA-N
XLogP5.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.83
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-chloro-3-methylphenyl)nonan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-3-methylphenyl)hexan-1-ol
CID 115784456
1-(3-bromo-4-chlorophenyl)undecan-1-ol
CID 115566565
1-(4-chloro-3-methoxyphenyl)decan-1-ol
CID 115817958
1-(4-chloro-3-methoxyphenyl)octan-1-ol
CID 79697126
1-(3-chloro-4-fluorophenyl)nonan-1-ol
CID 63414052
1-(4-chloro-3-methylphenyl)-N-ethyloctan-1-amine
CID 115832279
1-(4-chloro-3-methylphenyl)hex-5-en-1-ol
CID 115804467
1-(4-chloro-3-methylphenyl)-3-(diethylamino)propan-1-ol
CID 82074586
1-(4-methoxy-3-methylphenyl)decan-1-ol
CID 65148116
1-(4-chloro-3-methylphenyl)-N-propylheptan-1-amine
CID 115833499
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)nonan-1-ol?
The IUPAC name of 1-(4-chloro-3-methylphenyl)nonan-1-ol (CID 115784046) is 1-(4-chloro-3-methylphenyl)nonan-1-ol.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)nonan-1-ol?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)nonan-1-ol is CCCCCCCCC(O)c1ccc(Cl)c(C)c1.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)nonan-1-ol?
The InChIKey is UAPJZLKJAUFQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClO/c1-3-4-5-6-7-8-9-16(18)14-10-11-15(17)13(2)12-14/h10-12,16,18H,3-9H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)nonan-1-ol?
1-(4-chloro-3-methylphenyl)nonan-1-ol has a molecular weight of 268.83 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)nonan-1-ol is sourced from PubChem (CID 115784046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).