(5R)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)cyclohex-2-en-1-one

C19H17ClO2 — CID 42628199

IUPAC(5R)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
SMILESCOc1ccc([C@H]2CC(=O)C=C(c3cccc(Cl)c3)C2)cc1
InChIInChI=1S/C19H17ClO2/c1-22-19-7-5-13(6-8-19)15-9-16(12-18(21)11-15)14-3-2-4-17(20)10-14/h2-8,10,12,15H,9,11H2,1H3/t15-/m1/s1
InChIKeyCBBAIMCCRTXBRQ-OAHLLOKOSA-N
MW312.80 g/mol
LogP4.88
Rot. Bonds3

About (5R)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)cyclohex-2-en-1-one

(5R)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)cyclohex-2-en-1-one (PubChem CID 42628199) has the molecular formula C19H17ClO2 and a molecular weight of 312.80 g/mol. Its IUPAC name is (5R)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
PubChem CID42628199
Molecular FormulaC19H17ClO2
Molecular Weight312.80 g/mol
Exact Mass312.09
IUPAC Name(5R)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
SMILESCOc1ccc([C@H]2CC(=O)C=C(c3cccc(Cl)c3)C2)cc1
InChIInChI=1S/C19H17ClO2/c1-22-19-7-5-13(6-8-19)15-9-16(12-18(21)11-15)14-3-2-4-17(20)10-14/h2-8,10,12,15H,9,11H2,1H3/t15-/m1/s1
InChIKeyCBBAIMCCRTXBRQ-OAHLLOKOSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-3-(4-bromophenyl)-5-(3-chlorophenyl)cyclohex-2-en-1-one
CID 46242278
(4R,7S)-4-(3-chlorophenyl)-7-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645200
4-(3-chlorophenyl)-7-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17060689
5-(3-methylphenyl)-3-(4-phenylphenyl)cyclohex-2-en-1-one
CID 11198540
3-(2-hydroxy-4,6-dimethoxyphenyl)-5-phenylcyclohex-2-en-1-one
CID 13129301
(5R)-5-(4-methoxyphenyl)-3-[(E)-prop-1-enyl]cyclohex-2-en-1-one
CID 42628142
(5R)-5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-2-en-1-one
CID 1128178
5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-2-en-1-one
CID 3134430
(5S)-3-(cyclopropylamino)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
CID 800726
3-hydroxy-5-(3-methoxyphenyl)cyclohex-2-en-1-one;hydrate
CID 170922658
3-chloro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
CID 43633435
3-(4-hydroxyphenyl)-5-phenylcyclohex-2-en-1-one
CID 13109896

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)cyclohex-2-en-1-one?
The IUPAC name of (5R)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)cyclohex-2-en-1-one (CID 42628199) is (5R)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)cyclohex-2-en-1-one.
What is the SMILES notation for (5R)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)cyclohex-2-en-1-one?
The canonical SMILES for (5R)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)cyclohex-2-en-1-one is COc1ccc([C@H]2CC(=O)C=C(c3cccc(Cl)c3)C2)cc1.
What is the InChIKey of (5R)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)cyclohex-2-en-1-one?
The InChIKey is CBBAIMCCRTXBRQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H17ClO2/c1-22-19-7-5-13(6-8-19)15-9-16(12-18(21)11-15)14-3-2-4-17(20)10-14/h2-8,10,12,15H,9,11H2,1H3/t15-/m1/s1.
What are the key properties of (5R)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)cyclohex-2-en-1-one?
(5R)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)cyclohex-2-en-1-one has a molecular weight of 312.80 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)cyclohex-2-en-1-one is sourced from PubChem (CID 42628199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).