(2,5-dimethoxyphenyl)-[3-(3-hydroxy-4-methylphenyl)-2,2-dimethylcyclopropyl]methanone

C21H24O4 — CID 22491338

IUPAC(2,5-dimethoxyphenyl)-[3-(3-hydroxy-4-methylphenyl)-2,2-dimethylcyclopropyl]methanone
SMILESCOc1ccc(OC)c(C(=O)C2C(c3ccc(C)c(O)c3)C2(C)C)c1
InChIInChI=1S/C21H24O4/c1-12-6-7-13(10-16(12)22)18-19(21(18,2)3)20(23)15-11-14(24-4)8-9-17(15)25-5/h6-11,18-19,22H,1-5H3
InChIKeyDSIZFGCGWKSCQS-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.34
Rot. Bonds5

About (2,5-dimethoxyphenyl)-[3-(3-hydroxy-4-methylphenyl)-2,2-dimethylcyclopropyl]methanone

(2,5-dimethoxyphenyl)-[3-(3-hydroxy-4-methylphenyl)-2,2-dimethylcyclopropyl]methanone (PubChem CID 22491338) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-[3-(3-hydroxy-4-methylphenyl)-2,2-dimethylcyclopropyl]methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-[3-(3-hydroxy-4-methylphenyl)-2,2-dimethylcyclopropyl]methanone
PubChem CID22491338
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name(2,5-dimethoxyphenyl)-[3-(3-hydroxy-4-methylphenyl)-2,2-dimethylcyclopropyl]methanone
SMILESCOc1ccc(OC)c(C(=O)C2C(c3ccc(C)c(O)c3)C2(C)C)c1
InChIInChI=1S/C21H24O4/c1-12-6-7-13(10-16(12)22)18-19(21(18,2)3)20(23)15-11-14(24-4)8-9-17(15)25-5/h6-11,18-19,22H,1-5H3
InChIKeyDSIZFGCGWKSCQS-UHFFFAOYSA-N
XLogP4.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,5-dimethoxyphenyl)-[3-(3-hydroxy-4-methylphenyl)-2,2-dimethylcyclopropyl]methanone with MolForge

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Related Compounds

(2,5-dimethoxyphenyl)-[3-(4-ethoxyphenyl)-2,2-dimethylcyclopropyl]methanone;(2,5-dimethoxyphenyl)-[3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]methanone
CID 162254995
(2,5-dimethoxyphenyl)-[2-(3-hydroxy-4-methylphenyl)-5-methoxycyclohexyl]methanone
CID 22491293
trans-(1S,3S)-3-(3-hydroxy-4-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 178197143
trans-(1S,3S)-3-(3-hydroxy-4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 178199478
(2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone
CID 22491220
[2,2-dichloro-3-(4-ethoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone;[2,2-dichloro-3-(4-methoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone
CID 159050784
(2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone
CID 116826400
2-methoxy-N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-5-methylbenzamide
CID 68584463
cyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone
CID 68924260
(2,5-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337370
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid
CID 116918493

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-[3-(3-hydroxy-4-methylphenyl)-2,2-dimethylcyclopropyl]methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-[3-(3-hydroxy-4-methylphenyl)-2,2-dimethylcyclopropyl]methanone (CID 22491338) is (2,5-dimethoxyphenyl)-[3-(3-hydroxy-4-methylphenyl)-2,2-dimethylcyclopropyl]methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-[3-(3-hydroxy-4-methylphenyl)-2,2-dimethylcyclopropyl]methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-[3-(3-hydroxy-4-methylphenyl)-2,2-dimethylcyclopropyl]methanone is COc1ccc(OC)c(C(=O)C2C(c3ccc(C)c(O)c3)C2(C)C)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-[3-(3-hydroxy-4-methylphenyl)-2,2-dimethylcyclopropyl]methanone?
The InChIKey is DSIZFGCGWKSCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c1-12-6-7-13(10-16(12)22)18-19(21(18,2)3)20(23)15-11-14(24-4)8-9-17(15)25-5/h6-11,18-19,22H,1-5H3.
What are the key properties of (2,5-dimethoxyphenyl)-[3-(3-hydroxy-4-methylphenyl)-2,2-dimethylcyclopropyl]methanone?
(2,5-dimethoxyphenyl)-[3-(3-hydroxy-4-methylphenyl)-2,2-dimethylcyclopropyl]methanone has a molecular weight of 340.42 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-[3-(3-hydroxy-4-methylphenyl)-2,2-dimethylcyclopropyl]methanone is sourced from PubChem (CID 22491338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).