methyl 1-(3-chloro-4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate

C14H17ClO3 — CID 116842813

IUPACmethyl 1-(3-chloro-4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(OC)c(Cl)c2)CC1(C)C
InChIInChI=1S/C14H17ClO3/c1-13(2)8-14(13,12(16)18-4)9-5-6-11(17-3)10(15)7-9/h5-7H,8H2,1-4H3
InChIKeyUECWMOYBIPVCCD-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.19
Rot. Bonds3

About methyl 1-(3-chloro-4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate

methyl 1-(3-chloro-4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 116842813) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is methyl 1-(3-chloro-4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-chloro-4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID116842813
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Namemethyl 1-(3-chloro-4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(OC)c(Cl)c2)CC1(C)C
InChIInChI=1S/C14H17ClO3/c1-13(2)8-14(13,12(16)18-4)9-5-6-11(17-3)10(15)7-9/h5-7H,8H2,1-4H3
InChIKeyUECWMOYBIPVCCD-UHFFFAOYSA-N
XLogP3.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 1-(3-chloro-4-methoxyphenyl)-2,2-dimethylcyclopropane-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

methyl 1-(4-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 116842803
methyl 1-(3-chloro-4-methoxyphenyl)cyclobutane-1-carboxylate
CID 116963848
methyl 1-(5-bromo-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 116842825
1-(3-chloro-4-methoxyphenyl)-N-methylcyclohexan-1-amine
CID 82298649
1-(3-chloro-4-methoxyphenyl)cyclopentane-1-carbaldehyde
CID 82129814
(3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone
CID 106826559
3-(3-chloro-4-methoxyphenyl)prop-2-ynoic acid
CID 82077988
1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 83487485
[3-(3-chloro-4-methoxyphenyl)-3-hydroxyazetidin-1-yl] 2,2,2-trifluoroacetate
CID 178065785
N-(3-chloro-4-methoxyphenyl)-4-ethylpiperidine-4-carboxamide
CID 63127333
1-(3-chloro-4-methoxyanilino)cyclopentane-1-carboxylic acid
CID 71564864
1-(3-chloro-4-methoxyphenyl)cyclobutane-1-carbonitrile
CID 83707869

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-chloro-4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(3-chloro-4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate (CID 116842813) is methyl 1-(3-chloro-4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(3-chloro-4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(3-chloro-4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate is COC(=O)C1(c2ccc(OC)c(Cl)c2)CC1(C)C.
What is the InChIKey of methyl 1-(3-chloro-4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is UECWMOYBIPVCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c1-13(2)8-14(13,12(16)18-4)9-5-6-11(17-3)10(15)7-9/h5-7H,8H2,1-4H3.
What are the key properties of methyl 1-(3-chloro-4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate?
methyl 1-(3-chloro-4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 268.74 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-chloro-4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 116842813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).