2-[2-(4-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(4-methoxyphenyl)ethanone

C23H24O4 — CID 101166633

IUPAC2-[2-(4-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CC2CCCC=C2C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24O4/c1-26-19-11-7-16(8-12-19)22(24)15-18-5-3-4-6-21(18)23(25)17-9-13-20(27-2)14-10-17/h6-14,18H,3-5,15H2,1-2H3
InChIKeyKABXTLXPESIECZ-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.89
Rot. Bonds7

About 2-[2-(4-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(4-methoxyphenyl)ethanone

2-[2-(4-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(4-methoxyphenyl)ethanone (PubChem CID 101166633) has the molecular formula C23H24O4 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[2-(4-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[2-(4-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(4-methoxyphenyl)ethanone
PubChem CID101166633
Molecular FormulaC23H24O4
Molecular Weight364.44 g/mol
Exact Mass364.17
IUPAC Name2-[2-(4-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CC2CCCC=C2C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24O4/c1-26-19-11-7-16(8-12-19)22(24)15-18-5-3-4-6-21(18)23(25)17-9-13-20(27-2)14-10-17/h6-14,18H,3-5,15H2,1-2H3
InChIKeyKABXTLXPESIECZ-UHFFFAOYSA-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

1-(4-methoxyphenyl)-2-[2-(4-nitrobenzoyl)cyclohex-2-en-1-yl]ethanone
CID 101166639
2-[(1R)-2-(3-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(3-methoxyphenyl)ethanone
CID 71486460
2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentan-1-one
CID 14381769
2-[(1S)-2-(3-methylbenzoyl)cyclohex-2-en-1-yl]-1-(3-methylphenyl)ethanone
CID 122385088
(5-hydroxycyclopenten-1-yl)-(4-methoxyphenyl)methanone
CID 13113758
[6-(2-chloroethyl)cyclohexen-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 46895073
2-(4-methoxybenzoyl)cyclohex-2-en-1-one
CID 142780960
1-(4-methoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone;hydrochloride
CID 45048917
2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone
CID 66570582
2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone
CID 2404150
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone
CID 63491322
2,5-bis[3-(4-methoxyphenyl)-3-oxopropyl]cyclopentan-1-one
CID 24807933

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-[2-(4-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(4-methoxyphenyl)ethanone (CID 101166633) is 2-[2-(4-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[2-(4-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[2-(4-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)CC2CCCC=C2C(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[2-(4-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(4-methoxyphenyl)ethanone?
The InChIKey is KABXTLXPESIECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O4/c1-26-19-11-7-16(8-12-19)22(24)15-18-5-3-4-6-21(18)23(25)17-9-13-20(27-2)14-10-17/h6-14,18H,3-5,15H2,1-2H3.
What are the key properties of 2-[2-(4-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(4-methoxyphenyl)ethanone?
2-[2-(4-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(4-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-[2-(4-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 101166633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).