(2R)-2-[(1R)-3-methyl-1-(2,4,6-trimethoxyphenyl)butyl]cyclopentan-1-one

C19H28O4 — CID 11012646

IUPAC(2R)-2-[(1R)-3-methyl-1-(2,4,6-trimethoxyphenyl)butyl]cyclopentan-1-one
SMILESCOc1cc(OC)c([C@H](CC(C)C)[C@H]2CCCC2=O)c(OC)c1
InChIInChI=1S/C19H28O4/c1-12(2)9-15(14-7-6-8-16(14)20)19-17(22-4)10-13(21-3)11-18(19)23-5/h10-12,14-15H,6-9H2,1-5H3/t14-,15-/m1/s1
InChIKeyMYWOSPRNSGEUBR-HUUCEWRRSA-N
MW320.43 g/mol
LogP4.21
Rot. Bonds7

About (2R)-2-[(1R)-3-methyl-1-(2,4,6-trimethoxyphenyl)butyl]cyclopentan-1-one

(2R)-2-[(1R)-3-methyl-1-(2,4,6-trimethoxyphenyl)butyl]cyclopentan-1-one (PubChem CID 11012646) has the molecular formula C19H28O4 and a molecular weight of 320.43 g/mol. Its IUPAC name is (2R)-2-[(1R)-3-methyl-1-(2,4,6-trimethoxyphenyl)butyl]cyclopentan-1-one.

Molecular Properties

Compound Name(2R)-2-[(1R)-3-methyl-1-(2,4,6-trimethoxyphenyl)butyl]cyclopentan-1-one
PubChem CID11012646
Molecular FormulaC19H28O4
Molecular Weight320.43 g/mol
Exact Mass320.20
IUPAC Name(2R)-2-[(1R)-3-methyl-1-(2,4,6-trimethoxyphenyl)butyl]cyclopentan-1-one
SMILESCOc1cc(OC)c([C@H](CC(C)C)[C@H]2CCCC2=O)c(OC)c1
InChIInChI=1S/C19H28O4/c1-12(2)9-15(14-7-6-8-16(14)20)19-17(22-4)10-13(21-3)11-18(19)23-5/h10-12,14-15H,6-9H2,1-5H3/t14-,15-/m1/s1
InChIKeyMYWOSPRNSGEUBR-HUUCEWRRSA-N
XLogP4.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(1R)-3-methyl-1-(2,4,6-trimethoxyphenyl)butyl]cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 2,4,6-trimethyl-5-[(1R)-3-methyl-1-[(1R)-2-oxocyclopentyl]butyl]benzene-1,3-dicarboxylate
CID 101255786
(2S)-2-[(R)-(2,4-dimethoxyphenyl)-hydroxymethyl]cyclohexan-1-one
CID 135019943
2-[3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclopentan-1-one
CID 12542865
(2S)-2-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]cyclohexan-1-one
CID 11594291
(2R)-2-[(1R)-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclohexan-1-one
CID 867578
3-(2,4,6-trimethoxyphenyl)butanoic acid
CID 112513775
2-(1-chloropropan-2-yl)-1,3,5-trimethoxybenzene
CID 168916552
(2S)-2-butan-2-ylcyclopentan-1-one
CID 89019015
2-[2-(2,4-dimethoxyphenyl)ethyl]cyclohexane-1,3-dione
CID 165345675
2-[chloro(cyclopropyl)methyl]-1,3,5-trimethoxybenzene
CID 61086161
2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)propan-1-amine
CID 83154373
6,8-dimethoxy-1-[methoxy(methylsulfanyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 10912995

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-3-methyl-1-(2,4,6-trimethoxyphenyl)butyl]cyclopentan-1-one?
The IUPAC name of (2R)-2-[(1R)-3-methyl-1-(2,4,6-trimethoxyphenyl)butyl]cyclopentan-1-one (CID 11012646) is (2R)-2-[(1R)-3-methyl-1-(2,4,6-trimethoxyphenyl)butyl]cyclopentan-1-one.
What is the SMILES notation for (2R)-2-[(1R)-3-methyl-1-(2,4,6-trimethoxyphenyl)butyl]cyclopentan-1-one?
The canonical SMILES for (2R)-2-[(1R)-3-methyl-1-(2,4,6-trimethoxyphenyl)butyl]cyclopentan-1-one is COc1cc(OC)c([C@H](CC(C)C)[C@H]2CCCC2=O)c(OC)c1.
What is the InChIKey of (2R)-2-[(1R)-3-methyl-1-(2,4,6-trimethoxyphenyl)butyl]cyclopentan-1-one?
The InChIKey is MYWOSPRNSGEUBR-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H28O4/c1-12(2)9-15(14-7-6-8-16(14)20)19-17(22-4)10-13(21-3)11-18(19)23-5/h10-12,14-15H,6-9H2,1-5H3/t14-,15-/m1/s1.
What are the key properties of (2R)-2-[(1R)-3-methyl-1-(2,4,6-trimethoxyphenyl)butyl]cyclopentan-1-one?
(2R)-2-[(1R)-3-methyl-1-(2,4,6-trimethoxyphenyl)butyl]cyclopentan-1-one has a molecular weight of 320.43 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-3-methyl-1-(2,4,6-trimethoxyphenyl)butyl]cyclopentan-1-one is sourced from PubChem (CID 11012646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).