2-[(1R)-2-(3-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(3-methoxyphenyl)ethanone

C23H24O4 — CID 71486460

IUPAC2-[(1R)-2-(3-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)C[C@H]2CCCC=C2C(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C23H24O4/c1-26-19-10-5-8-17(13-19)22(24)15-16-7-3-4-12-21(16)23(25)18-9-6-11-20(14-18)27-2/h5-6,8-14,16H,3-4,7,15H2,1-2H3/t16-/m1/s1
InChIKeyIJOSNEODAZVEQW-MRXNPFEDSA-N
MW364.44 g/mol
LogP4.89
Rot. Bonds7

About 2-[(1R)-2-(3-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(3-methoxyphenyl)ethanone

2-[(1R)-2-(3-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(3-methoxyphenyl)ethanone (PubChem CID 71486460) has the molecular formula C23H24O4 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[(1R)-2-(3-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[(1R)-2-(3-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(3-methoxyphenyl)ethanone
PubChem CID71486460
Molecular FormulaC23H24O4
Molecular Weight364.44 g/mol
Exact Mass364.17
IUPAC Name2-[(1R)-2-(3-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)C[C@H]2CCCC=C2C(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C23H24O4/c1-26-19-10-5-8-17(13-19)22(24)15-16-7-3-4-12-21(16)23(25)18-9-6-11-20(14-18)27-2/h5-6,8-14,16H,3-4,7,15H2,1-2H3/t16-/m1/s1
InChIKeyIJOSNEODAZVEQW-MRXNPFEDSA-N
XLogP4.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1S)-2-(3-methylbenzoyl)cyclohex-2-en-1-yl]-1-(3-methylphenyl)ethanone
CID 122385088
2-[2-(4-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(4-methoxyphenyl)ethanone
CID 101166633
1-(4-methoxyphenyl)-2-[2-(4-nitrobenzoyl)cyclohex-2-en-1-yl]ethanone
CID 101166639
2-[(2E)-2-[(3-methoxyphenyl)methylidene]cyclopentyl]-1-phenylethanone
CID 23642763
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentan-1-one
CID 14381769
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
1-(3-methoxyphenyl)-2-(3-methylcyclohexyl)oxyethanone
CID 43800872
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone
CID 64643903
1-(3-methoxyphenyl)-2-(3-methylcyclopenta-2,4-dien-1-yl)ethanone
CID 174473537

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-(3-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2-[(1R)-2-(3-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(3-methoxyphenyl)ethanone (CID 71486460) is 2-[(1R)-2-(3-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[(1R)-2-(3-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2-[(1R)-2-(3-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(3-methoxyphenyl)ethanone is COc1cccc(C(=O)C[C@H]2CCCC=C2C(=O)c2cccc(OC)c2)c1.
What is the InChIKey of 2-[(1R)-2-(3-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(3-methoxyphenyl)ethanone?
The InChIKey is IJOSNEODAZVEQW-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24O4/c1-26-19-10-5-8-17(13-19)22(24)15-16-7-3-4-12-21(16)23(25)18-9-6-11-20(14-18)27-2/h5-6,8-14,16H,3-4,7,15H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-[(1R)-2-(3-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(3-methoxyphenyl)ethanone?
2-[(1R)-2-(3-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(3-methoxyphenyl)ethanone has a molecular weight of 364.44 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-(3-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 71486460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).