1-(4-chlorophenyl)hexan-1-ol

C12H17ClO — CID 11615437

IUPAC1-(4-chlorophenyl)hexan-1-ol
SMILESCCCCCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClO/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9,12,14H,2-5H2,1H3
InChIKeyDMBOBUFZHUJCIA-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.95
Rot. Bonds5

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

1-(4-chlorophenyl)hexan-1-ol (PubChem CID 11615437) has the molecular formula C12H17ClO and a molecular weight of 212.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)hexan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)hexan-1-ol
PubChem CID11615437
Molecular FormulaC12H17ClO
Molecular Weight212.72 g/mol
Exact Mass212.10
IUPAC Name1-(4-chlorophenyl)hexan-1-ol
SMILESCCCCCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClO/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9,12,14H,2-5H2,1H3
InChIKeyDMBOBUFZHUJCIA-UHFFFAOYSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.95
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-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)hexan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)hexan-1-ol (CID 11615437) is 1-(4-chlorophenyl)hexan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)hexan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)hexan-1-ol is CCCCCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)hexan-1-ol?
The InChIKey is DMBOBUFZHUJCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9,12,14H,2-5H2,1H3.
What are the key properties of 1-(4-chlorophenyl)hexan-1-ol?
1-(4-chlorophenyl)hexan-1-ol has a molecular weight of 212.72 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)hexan-1-ol is sourced from PubChem (CID 11615437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).