4-(5-chloro-2-methoxyphenyl)butan-1-ol

C11H15ClO2 — CID 64513423

IUPAC4-(5-chloro-2-methoxyphenyl)butan-1-ol
SMILESCOc1ccc(Cl)cc1CCCCO
InChIInChI=1S/C11H15ClO2/c1-14-11-6-5-10(12)8-9(11)4-2-3-7-13/h5-6,8,13H,2-4,7H2,1H3
InChIKeyRWIFWOPQOUPXGO-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.66
Rot. Bonds5

About 4-(5-chloro-2-methoxyphenyl)butan-1-ol

4-(5-chloro-2-methoxyphenyl)butan-1-ol (PubChem CID 64513423) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)butan-1-ol
PubChem CID64513423
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name4-(5-chloro-2-methoxyphenyl)butan-1-ol
SMILESCOc1ccc(Cl)cc1CCCCO
InChIInChI=1S/C11H15ClO2/c1-14-11-6-5-10(12)8-9(11)4-2-3-7-13/h5-6,8,13H,2-4,7H2,1H3
InChIKeyRWIFWOPQOUPXGO-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(5-chloro-2-methoxyphenyl)butan-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

4-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 59192502
3-[2-(5-chloro-2-methoxyphenyl)ethyl-methylamino]propan-1-ol
CID 115217130
5-(5-chloro-2-methoxyphenyl)pentanoic acid
CID 93186212
4-(5-chloro-2-methoxyphenyl)butanethioamide
CID 83933152
6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine
CID 104544671
4-(2,5-dichlorophenyl)butan-1-ol
CID 65316386
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
5-(5-chloro-2-methoxy-4-methylphenyl)pentan-1-ol
CID 98015509
1-[3-(5-chloro-2-methoxyphenyl)propyl]cyclopropan-1-amine
CID 83912543
5-(5-chloro-2-methoxyphenyl)-N-methylpentan-2-amine
CID 64503076
4-chloro-1-methoxy-2-(7-propan-2-ylsulfonylheptyl)benzene
CID 160748743
3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)butan-1-ol?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)butan-1-ol (CID 64513423) is 4-(5-chloro-2-methoxyphenyl)butan-1-ol.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)butan-1-ol?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)butan-1-ol is COc1ccc(Cl)cc1CCCCO.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)butan-1-ol?
The InChIKey is RWIFWOPQOUPXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-14-11-6-5-10(12)8-9(11)4-2-3-7-13/h5-6,8,13H,2-4,7H2,1H3.
What are the key properties of 4-(5-chloro-2-methoxyphenyl)butan-1-ol?
4-(5-chloro-2-methoxyphenyl)butan-1-ol has a molecular weight of 214.69 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)butan-1-ol is sourced from PubChem (CID 64513423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).