methyl 1-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)cyclopropane-1-carboxylate

C20H22O3 — CID 172843058

IUPACmethyl 1-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cc(C)ccc2OC)CC1c1ccc(C)cc1
InChIInChI=1S/C20H22O3/c1-13-5-8-15(9-6-13)17-12-20(17,19(21)23-4)16-11-14(2)7-10-18(16)22-3/h5-11,17H,12H2,1-4H3
InChIKeyXBCRQQIOBVPIPA-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.91
Rot. Bonds4

About methyl 1-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)cyclopropane-1-carboxylate

methyl 1-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)cyclopropane-1-carboxylate (PubChem CID 172843058) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is methyl 1-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)cyclopropane-1-carboxylate
PubChem CID172843058
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Namemethyl 1-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cc(C)ccc2OC)CC1c1ccc(C)cc1
InChIInChI=1S/C20H22O3/c1-13-5-8-15(9-6-13)17-12-20(17,19(21)23-4)16-11-14(2)7-10-18(16)22-3/h5-11,17H,12H2,1-4H3
InChIKeyXBCRQQIOBVPIPA-UHFFFAOYSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 1-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)cyclopropane-1-carboxylate 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

trans-methyl (1S,2R)-1-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxylate
CID 162419234
trans-methyl (1R,2S)-2-(6-chloro-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylate
CID 164571407
ethane;trans-methyl (1R,2R)-1-(2-methoxy-5-methylphenyl)-2-(6-propyl-2-pyridinyl)cyclopropane-1-carboxylate
CID 177141348
methyl (1S)-1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopentane-1-carboxylate
CID 101227147
cis-dimethyl (1R,2S)-1-(2-bromo-4-methylphenyl)cyclopropane-1,2-dicarboxylate
CID 22825915
1-(2-methoxy-5-methylphenyl)-2-methylcyclopentane-1-carboxylic acid
CID 79679423
methyl 6-(2-methoxy-5-methylphenyl)-5-oxaspiro[2.4]heptane-6-carboxylate
CID 164571562
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 1-(2-methoxy-5-methylphenyl)-2-(6-methoxy-2-methyl-3-pyridinyl)cyclopropane-1-carboxylate
CID 170691007
1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 83487485
trans-(1R,2R)-2-(6-ethoxy-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 164571501
1-(2-methoxy-5-methylphenyl)-3,5-dimethylcyclohexan-1-ol
CID 64735348
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-(5-fluoro-2-methoxy-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylate
CID 170691014

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)cyclopropane-1-carboxylate (CID 172843058) is methyl 1-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)cyclopropane-1-carboxylate is COC(=O)C1(c2cc(C)ccc2OC)CC1c1ccc(C)cc1.
What is the InChIKey of methyl 1-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)cyclopropane-1-carboxylate?
The InChIKey is XBCRQQIOBVPIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-13-5-8-15(9-6-13)17-12-20(17,19(21)23-4)16-11-14(2)7-10-18(16)22-3/h5-11,17H,12H2,1-4H3.
What are the key properties of methyl 1-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)cyclopropane-1-carboxylate?
methyl 1-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)cyclopropane-1-carboxylate has a molecular weight of 310.39 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 172843058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).