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

C9H11ClO — CID 11147981

IUPAC1-(3-chlorophenyl)propan-1-ol
SMILESCCC(O)c1cccc(Cl)c1
InChIInChI=1S/C9H11ClO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6,9,11H,2H2,1H3
InChIKeyAPYGJPRINQKIQF-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.78
Rot. Bonds2

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

1-(3-chlorophenyl)propan-1-ol (PubChem CID 11147981) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is 1-(3-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)propan-1-ol
PubChem CID11147981
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name1-(3-chlorophenyl)propan-1-ol
SMILESCCC(O)c1cccc(Cl)c1
InChIInChI=1S/C9H11ClO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6,9,11H,2H2,1H3
InChIKeyAPYGJPRINQKIQF-UHFFFAOYSA-N
XLogP2.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Phenylethanol
CID 7409
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
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
(1R)-3-chloro-1-phenylpropan-1-ol
CID 642409
4,4'-Dichlorobenzhydrol
CID 7033
4-Chlorobenzhydrol
CID 8401

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)propan-1-ol?
The IUPAC name of 1-(3-chlorophenyl)propan-1-ol (CID 11147981) is 1-(3-chlorophenyl)propan-1-ol.
What is the SMILES notation for 1-(3-chlorophenyl)propan-1-ol?
The canonical SMILES for 1-(3-chlorophenyl)propan-1-ol is CCC(O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)propan-1-ol?
The InChIKey is APYGJPRINQKIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6,9,11H,2H2,1H3.
What are the key properties of 1-(3-chlorophenyl)propan-1-ol?
1-(3-chlorophenyl)propan-1-ol has a molecular weight of 170.64 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)propan-1-ol is sourced from PubChem (CID 11147981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).