(2R,3R,4R,5R)-3,5-bis(4-methoxyphenyl)-2-methyl-4-propanoylcyclohexan-1-one

C24H28O4 — CID 102003891

IUPAC(2R,3R,4R,5R)-3,5-bis(4-methoxyphenyl)-2-methyl-4-propanoylcyclohexan-1-one
SMILESCCC(=O)[C@H]1[C@H](c2ccc(OC)cc2)[C@@H](C)C(=O)C[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C24H28O4/c1-5-21(25)24-20(16-6-10-18(27-3)11-7-16)14-22(26)15(2)23(24)17-8-12-19(28-4)13-9-17/h6-13,15,20,23-24H,5,14H2,1-4H3/t15-,20-,23-,24-/m0/s1
InChIKeyYOOPMKNMPJHXTL-QRENOOHASA-N
MW380.48 g/mol
LogP4.78
Rot. Bonds6

About (2R,3R,4R,5R)-3,5-bis(4-methoxyphenyl)-2-methyl-4-propanoylcyclohexan-1-one

(2R,3R,4R,5R)-3,5-bis(4-methoxyphenyl)-2-methyl-4-propanoylcyclohexan-1-one (PubChem CID 102003891) has the molecular formula C24H28O4 and a molecular weight of 380.48 g/mol. Its IUPAC name is (2R,3R,4R,5R)-3,5-bis(4-methoxyphenyl)-2-methyl-4-propanoylcyclohexan-1-one.

Molecular Properties

Compound Name(2R,3R,4R,5R)-3,5-bis(4-methoxyphenyl)-2-methyl-4-propanoylcyclohexan-1-one
PubChem CID102003891
Molecular FormulaC24H28O4
Molecular Weight380.48 g/mol
Exact Mass380.20
IUPAC Name(2R,3R,4R,5R)-3,5-bis(4-methoxyphenyl)-2-methyl-4-propanoylcyclohexan-1-one
SMILESCCC(=O)[C@H]1[C@H](c2ccc(OC)cc2)[C@@H](C)C(=O)C[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C24H28O4/c1-5-21(25)24-20(16-6-10-18(27-3)11-7-16)14-22(26)15(2)23(24)17-8-12-19(28-4)13-9-17/h6-13,15,20,23-24H,5,14H2,1-4H3/t15-,20-,23-,24-/m0/s1
InChIKeyYOOPMKNMPJHXTL-QRENOOHASA-N
XLogP4.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,3R,4R,5R)-3,5-bis(4-methoxyphenyl)-2-methyl-4-propanoylcyclohexan-1-one with MolForge

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Related Compounds

(2R,3S,4S,5S)-2-methyl-3,5-diphenyl-4-propanoylcyclohexan-1-one
CID 102003889
(3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 7145970
4-(4-methoxyphenyl)-5-methylpyrrolidin-2-one
CID 13427349
2-ethyl-3-(4-methoxyphenyl)-2-methylcyclobutan-1-one
CID 81416060
(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one
CID 7021020
ethyl (2R,3R)-3-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxylate
CID 59066500
ethyl (3S,4S)-4-(4-methoxyphenyl)piperidine-3-carboxylate
CID 118700652
(1S,2S,3S)-2-ethylsulfonyl-3-(4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 124858498
(3R,4R)-4-(4-methoxyphenyl)-2-oxooxolane-3-carboxylic acid
CID 124842580
cis-(1S,2R)-2-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 91536738
3-[4-(4-bromophenoxy)phenyl]-2-methylcyclobutan-1-one
CID 81419198
1-[2,3-diethyl-4-(4-methoxyphenyl)cyclobutyl]-4-methoxybenzene
CID 132838740

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-3,5-bis(4-methoxyphenyl)-2-methyl-4-propanoylcyclohexan-1-one?
The IUPAC name of (2R,3R,4R,5R)-3,5-bis(4-methoxyphenyl)-2-methyl-4-propanoylcyclohexan-1-one (CID 102003891) is (2R,3R,4R,5R)-3,5-bis(4-methoxyphenyl)-2-methyl-4-propanoylcyclohexan-1-one.
What is the SMILES notation for (2R,3R,4R,5R)-3,5-bis(4-methoxyphenyl)-2-methyl-4-propanoylcyclohexan-1-one?
The canonical SMILES for (2R,3R,4R,5R)-3,5-bis(4-methoxyphenyl)-2-methyl-4-propanoylcyclohexan-1-one is CCC(=O)[C@H]1[C@H](c2ccc(OC)cc2)[C@@H](C)C(=O)C[C@H]1c1ccc(OC)cc1.
What is the InChIKey of (2R,3R,4R,5R)-3,5-bis(4-methoxyphenyl)-2-methyl-4-propanoylcyclohexan-1-one?
The InChIKey is YOOPMKNMPJHXTL-QRENOOHASA-N. The full InChI is InChI=1S/C24H28O4/c1-5-21(25)24-20(16-6-10-18(27-3)11-7-16)14-22(26)15(2)23(24)17-8-12-19(28-4)13-9-17/h6-13,15,20,23-24H,5,14H2,1-4H3/t15-,20-,23-,24-/m0/s1.
What are the key properties of (2R,3R,4R,5R)-3,5-bis(4-methoxyphenyl)-2-methyl-4-propanoylcyclohexan-1-one?
(2R,3R,4R,5R)-3,5-bis(4-methoxyphenyl)-2-methyl-4-propanoylcyclohexan-1-one has a molecular weight of 380.48 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-3,5-bis(4-methoxyphenyl)-2-methyl-4-propanoylcyclohexan-1-one is sourced from PubChem (CID 102003891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).