3-(3-chlorophenyl)-2-ethylcyclobutan-1-ol

C12H15ClO — CID 81415357

IUPAC3-(3-chlorophenyl)-2-ethylcyclobutan-1-ol
SMILESCCC1C(O)CC1c1cccc(Cl)c1
InChIInChI=1S/C12H15ClO/c1-2-10-11(7-12(10)14)8-4-3-5-9(13)6-8/h3-6,10-12,14H,2,7H2,1H3
InChIKeyBMBQYCINWYHCML-UHFFFAOYSA-N
MW210.70 g/mol
LogP3.21
Rot. Bonds2

About 3-(3-chlorophenyl)-2-ethylcyclobutan-1-ol

3-(3-chlorophenyl)-2-ethylcyclobutan-1-ol (PubChem CID 81415357) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-ethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-ethylcyclobutan-1-ol
PubChem CID81415357
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name3-(3-chlorophenyl)-2-ethylcyclobutan-1-ol
SMILESCCC1C(O)CC1c1cccc(Cl)c1
InChIInChI=1S/C12H15ClO/c1-2-10-11(7-12(10)14)8-4-3-5-9(13)6-8/h3-6,10-12,14H,2,7H2,1H3
InChIKeyBMBQYCINWYHCML-UHFFFAOYSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-ol
CID 81416761
2-(3-chlorophenyl)cyclobutan-1-ol
CID 126971921
(3S,4R)-3-(3-chlorophenyl)-4-ethylpyrrolidine
CID 125451676
1-[(1R,2R)-2-bromocyclopropyl]-3-chlorobenzene
CID 15269278
3-(3,5-difluorophenyl)-2-ethylcyclobutan-1-ol
CID 81415473
2-(3-chlorophenyl)cyclohexan-1-ol
CID 14382197
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
CID 39239299
1-[2-(3-chlorophenyl)cyclopropyl]ethanol
CID 53275693
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
3-(2,6-difluorophenyl)-2-ethylcyclobutan-1-ol
CID 81415954
[2-(3-chlorophenyl)cyclopropyl]boronic acid
CID 156757957
1-chloro-3-[(1R,2S)-2-cyclopropylcyclopropyl]benzene
CID 54091231

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-ethylcyclobutan-1-ol?
The IUPAC name of 3-(3-chlorophenyl)-2-ethylcyclobutan-1-ol (CID 81415357) is 3-(3-chlorophenyl)-2-ethylcyclobutan-1-ol.
What is the SMILES notation for 3-(3-chlorophenyl)-2-ethylcyclobutan-1-ol?
The canonical SMILES for 3-(3-chlorophenyl)-2-ethylcyclobutan-1-ol is CCC1C(O)CC1c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-ethylcyclobutan-1-ol?
The InChIKey is BMBQYCINWYHCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c1-2-10-11(7-12(10)14)8-4-3-5-9(13)6-8/h3-6,10-12,14H,2,7H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-2-ethylcyclobutan-1-ol?
3-(3-chlorophenyl)-2-ethylcyclobutan-1-ol has a molecular weight of 210.70 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-ethylcyclobutan-1-ol is sourced from PubChem (CID 81415357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).