1-[2-(3-chlorophenyl)cyclopropyl]ethanol

C11H13ClO — CID 53275693

IUPAC1-[2-(3-chlorophenyl)cyclopropyl]ethanol
SMILESCC(O)C1CC1c1cccc(Cl)c1
InChIInChI=1S/C11H13ClO/c1-7(13)10-6-11(10)8-3-2-4-9(12)5-8/h2-5,7,10-11,13H,6H2,1H3
InChIKeyPUYAOPRTMYNHAD-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.82
Rot. Bonds2

About 1-[2-(3-chlorophenyl)cyclopropyl]ethanol

1-[2-(3-chlorophenyl)cyclopropyl]ethanol (PubChem CID 53275693) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)cyclopropyl]ethanol
PubChem CID53275693
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name1-[2-(3-chlorophenyl)cyclopropyl]ethanol
SMILESCC(O)C1CC1c1cccc(Cl)c1
InChIInChI=1S/C11H13ClO/c1-7(13)10-6-11(10)8-3-2-4-9(12)5-8/h2-5,7,10-11,13H,6H2,1H3
InChIKeyPUYAOPRTMYNHAD-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(3-methoxyphenyl)cyclopropyl]ethanol
CID 43828915
(1R)-1-[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]ethanol
CID 28912113
(1S)-1-[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]ethanol
CID 124746698
[2-(3-chlorophenyl)cyclopropyl]boronic acid
CID 156757957
(1R)-1-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]ethanol
CID 95002894
(1R)-1-[(2S,3S)-3-(3-chlorophenyl)oxiran-2-yl]ethanol
CID 132937968
1-[(1R,2R)-2-bromocyclopropyl]-3-chlorobenzene
CID 15269278
1-chloro-3-[(1R,2S)-2-cyclopropylcyclopropyl]benzene
CID 54091231
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
CID 39239299
(1S)-1-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropyl]ethanol
CID 124746610
(1R)-1-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]ethanol
CID 28912472
(1S)-1-[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]ethanol
CID 95002863

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)cyclopropyl]ethanol?
The IUPAC name of 1-[2-(3-chlorophenyl)cyclopropyl]ethanol (CID 53275693) is 1-[2-(3-chlorophenyl)cyclopropyl]ethanol.
What is the SMILES notation for 1-[2-(3-chlorophenyl)cyclopropyl]ethanol?
The canonical SMILES for 1-[2-(3-chlorophenyl)cyclopropyl]ethanol is CC(O)C1CC1c1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)cyclopropyl]ethanol?
The InChIKey is PUYAOPRTMYNHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO/c1-7(13)10-6-11(10)8-3-2-4-9(12)5-8/h2-5,7,10-11,13H,6H2,1H3.
What are the key properties of 1-[2-(3-chlorophenyl)cyclopropyl]ethanol?
1-[2-(3-chlorophenyl)cyclopropyl]ethanol has a molecular weight of 196.68 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)cyclopropyl]ethanol is sourced from PubChem (CID 53275693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).