(2S)-2-(2-chlorophenyl)cyclobutan-1-one

C10H9ClO — CID 95240660

IUPAC(2S)-2-(2-chlorophenyl)cyclobutan-1-one
SMILESO=C1CC[C@H]1c1ccccc1Cl
InChIInChI=1S/C10H9ClO/c11-9-4-2-1-3-7(9)8-5-6-10(8)12/h1-4,8H,5-6H2/t8-/m0/s1
InChIKeyYYFHBSFCWFVNKP-QMMMGPOBSA-N
MW180.63 g/mol
LogP2.79
Rot. Bonds1

About (2S)-2-(2-chlorophenyl)cyclobutan-1-one

(2S)-2-(2-chlorophenyl)cyclobutan-1-one (PubChem CID 95240660) has the molecular formula C10H9ClO and a molecular weight of 180.63 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenyl)cyclobutan-1-one.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenyl)cyclobutan-1-one
PubChem CID95240660
Molecular FormulaC10H9ClO
Molecular Weight180.63 g/mol
Exact Mass180.03
IUPAC Name(2S)-2-(2-chlorophenyl)cyclobutan-1-one
SMILESO=C1CC[C@H]1c1ccccc1Cl
InChIInChI=1S/C10H9ClO/c11-9-4-2-1-3-7(9)8-5-6-10(8)12/h1-4,8H,5-6H2/t8-/m0/s1
InChIKeyYYFHBSFCWFVNKP-QMMMGPOBSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-hydroxyphenyl)cyclobutan-1-one
CID 14245733
(2S)-2-(2,4-dichlorophenyl)cyclobutan-1-one
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CID 121230745
(5R)-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one
CID 145410671
(2R)-2-(2-fluorophenyl)cyclobutan-1-one
CID 129416043
(2S)-2-(2-chlorophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 129404838
4-(2-chlorophenyl)cyclohexan-1-one
CID 19705258
7-(2-chlorophenyl)bicyclo[2.2.1]heptane
CID 10262419
2-(2,4-dichlorophenyl)cyclopentan-1-one
CID 130164346
2-(4-chloro-1H-indol-3-yl)cyclohexan-1-one
CID 172762158
2-(3-bromo-2-chlorophenyl)cyclopentan-1-one
CID 130040874
2-(2-cyclobutylphenyl)cyclohexan-1-one
CID 114605762

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenyl)cyclobutan-1-one?
The IUPAC name of (2S)-2-(2-chlorophenyl)cyclobutan-1-one (CID 95240660) is (2S)-2-(2-chlorophenyl)cyclobutan-1-one.
What is the SMILES notation for (2S)-2-(2-chlorophenyl)cyclobutan-1-one?
The canonical SMILES for (2S)-2-(2-chlorophenyl)cyclobutan-1-one is O=C1CC[C@H]1c1ccccc1Cl.
What is the InChIKey of (2S)-2-(2-chlorophenyl)cyclobutan-1-one?
The InChIKey is YYFHBSFCWFVNKP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H9ClO/c11-9-4-2-1-3-7(9)8-5-6-10(8)12/h1-4,8H,5-6H2/t8-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenyl)cyclobutan-1-one?
(2S)-2-(2-chlorophenyl)cyclobutan-1-one has a molecular weight of 180.63 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenyl)cyclobutan-1-one is sourced from PubChem (CID 95240660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).