2-(3-chlorophenyl)-4-phenoxybutan-1-ol

C16H17ClO2 — CID 79443608

IUPAC2-(3-chlorophenyl)-4-phenoxybutan-1-ol
SMILESOCC(CCOc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClO2/c17-15-6-4-5-13(11-15)14(12-18)9-10-19-16-7-2-1-3-8-16/h1-8,11,14,18H,9-10,12H2
InChIKeyHSTGRGZGKQBCAO-UHFFFAOYSA-N
MW276.76 g/mol
LogP3.88
Rot. Bonds6

About 2-(3-chlorophenyl)-4-phenoxybutan-1-ol

2-(3-chlorophenyl)-4-phenoxybutan-1-ol (PubChem CID 79443608) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-phenoxybutan-1-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-phenoxybutan-1-ol
PubChem CID79443608
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name2-(3-chlorophenyl)-4-phenoxybutan-1-ol
SMILESOCC(CCOc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClO2/c17-15-6-4-5-13(11-15)14(12-18)9-10-19-16-7-2-1-3-8-16/h1-8,11,14,18H,9-10,12H2
InChIKeyHSTGRGZGKQBCAO-UHFFFAOYSA-N
XLogP3.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chlorophenoxy)-2-phenylbutan-1-amine
CID 82138848
2-(3-chlorophenyl)-5-phenoxypentanoic acid
CID 79431082
1-bromo-3-[4-bromo-3-(3-chlorophenyl)butoxy]benzene
CID 79432512
2-(3-chlorophenyl)-3-phenoxypropan-1-amine
CID 117242977
1-(3-chlorophenyl)-4-phenoxybutan-2-ol
CID 60798521
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
2-(3-chlorophenyl)-3-phenylmethoxypropan-1-ol
CID 102940911
3-(3-chlorophenoxy)-2-(3-fluorophenyl)propan-1-ol
CID 117243052
1-chloro-3-(3-phenoxypropyl)benzene
CID 141357822
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
2-(4-methylphenyl)-5-phenoxypentan-1-ol
CID 79437004
1-[4-bromo-3-(3-chlorophenyl)butoxy]-2-methoxybenzene
CID 79432961

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-phenoxybutan-1-ol?
The IUPAC name of 2-(3-chlorophenyl)-4-phenoxybutan-1-ol (CID 79443608) is 2-(3-chlorophenyl)-4-phenoxybutan-1-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-4-phenoxybutan-1-ol?
The canonical SMILES for 2-(3-chlorophenyl)-4-phenoxybutan-1-ol is OCC(CCOc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-phenoxybutan-1-ol?
The InChIKey is HSTGRGZGKQBCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c17-15-6-4-5-13(11-15)14(12-18)9-10-19-16-7-2-1-3-8-16/h1-8,11,14,18H,9-10,12H2.
What are the key properties of 2-(3-chlorophenyl)-4-phenoxybutan-1-ol?
2-(3-chlorophenyl)-4-phenoxybutan-1-ol has a molecular weight of 276.76 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-phenoxybutan-1-ol is sourced from PubChem (CID 79443608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).