3-chloro-1-(3-chlorophenyl)propan-1-ol

C9H10Cl2O — CID 22621587

IUPAC3-chloro-1-(3-chlorophenyl)propan-1-ol
SMILESOC(CCCl)c1cccc(Cl)c1
InChIInChI=1S/C9H10Cl2O/c10-5-4-9(12)7-2-1-3-8(11)6-7/h1-3,6,9,12H,4-5H2
InChIKeyYCIBKKCUVUPILV-UHFFFAOYSA-N
MW205.08 g/mol
LogP3.00
Rot. Bonds3

About 3-chloro-1-(3-chlorophenyl)propan-1-ol

3-chloro-1-(3-chlorophenyl)propan-1-ol (PubChem CID 22621587) has the molecular formula C9H10Cl2O and a molecular weight of 205.08 g/mol. Its IUPAC name is 3-chloro-1-(3-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-chloro-1-(3-chlorophenyl)propan-1-ol
PubChem CID22621587
Molecular FormulaC9H10Cl2O
Molecular Weight205.08 g/mol
Exact Mass204.01
IUPAC Name3-chloro-1-(3-chlorophenyl)propan-1-ol
SMILESOC(CCCl)c1cccc(Cl)c1
InChIInChI=1S/C9H10Cl2O/c10-5-4-9(12)7-2-1-3-8(11)6-7/h1-3,6,9,12H,4-5H2
InChIKeyYCIBKKCUVUPILV-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278
1-(3-chlorophenyl)-4-phenylbutan-1-ol
CID 55096467
3-[3-(3-chlorophenyl)-3-hydroxypropyl]phenol
CID 141037796
(3-chlorophenyl)methanediol
CID 20679602
3-(3-chlorophenyl)-3-hydroxypropanenitrile
CID 13004554
1-(3-chlorophenyl)-2-propan-2-ylsulfanylethanol
CID 65132101
2-amino-1-(3-chlorophenyl)ethanol;carbonic acid
CID 67865938
3-(3-chlorophenyl)-3-hydroxypropanoate
CID 19770450
1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
CID 55098610
2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
(3-chlorophenyl)-fluoromethanol
CID 70239224
1-(3-chlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-1-ol
CID 107487101

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-chlorophenyl)propan-1-ol?
The IUPAC name of 3-chloro-1-(3-chlorophenyl)propan-1-ol (CID 22621587) is 3-chloro-1-(3-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-chloro-1-(3-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-chloro-1-(3-chlorophenyl)propan-1-ol is OC(CCCl)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-1-(3-chlorophenyl)propan-1-ol?
The InChIKey is YCIBKKCUVUPILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O/c10-5-4-9(12)7-2-1-3-8(11)6-7/h1-3,6,9,12H,4-5H2.
What are the key properties of 3-chloro-1-(3-chlorophenyl)propan-1-ol?
3-chloro-1-(3-chlorophenyl)propan-1-ol has a molecular weight of 205.08 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-chlorophenyl)propan-1-ol is sourced from PubChem (CID 22621587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).