1-(4-chlorophenyl)heptan-1-ol

C13H19ClO — CID 62608718

IUPAC1-(4-chlorophenyl)heptan-1-ol
SMILESCCCCCCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClO/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10,13,15H,2-6H2,1H3
InChIKeyLJUMUOIYYHZFOC-UHFFFAOYSA-N
MW226.75 g/mol
LogP4.34
Rot. Bonds6

About 1-(4-chlorophenyl)heptan-1-ol

1-(4-chlorophenyl)heptan-1-ol (PubChem CID 62608718) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)heptan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)heptan-1-ol
PubChem CID62608718
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Name1-(4-chlorophenyl)heptan-1-ol
SMILESCCCCCCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClO/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10,13,15H,2-6H2,1H3
InChIKeyLJUMUOIYYHZFOC-UHFFFAOYSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-chlorophenyl)heptan-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-Phenylethanol
CID 7409
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
1,1-Bis(4-chlorophenyl)ethanol
CID 6624
2,4-Dichlorobenzyl alcohol
CID 15684
Phenaglycodol
CID 6617
1-Phenylethanol, (R)-
CID 637516
1-Phenylethanol, (S)-
CID 443135
Fenpentadiol
CID 85896
4-Chlorobenzyl alcohol
CID 13397
2,2,2-Trichloro-1-phenylethanol
CID 16150
3-Chlorobenzyl alcohol
CID 70117

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)heptan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)heptan-1-ol (CID 62608718) is 1-(4-chlorophenyl)heptan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)heptan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)heptan-1-ol is CCCCCCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)heptan-1-ol?
The InChIKey is LJUMUOIYYHZFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10,13,15H,2-6H2,1H3.
What are the key properties of 1-(4-chlorophenyl)heptan-1-ol?
1-(4-chlorophenyl)heptan-1-ol has a molecular weight of 226.75 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)heptan-1-ol is sourced from PubChem (CID 62608718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).