methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate

C12H14O3 — CID 58725238

IUPACmethyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CC1CO
InChIInChI=1S/C12H14O3/c1-15-11(14)12(7-10(12)8-13)9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3
InChIKeyKGZIABSJBDPTEK-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.11
Rot. Bonds3

About methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate

methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate (PubChem CID 58725238) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate
PubChem CID58725238
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namemethyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CC1CO
InChIInChI=1S/C12H14O3/c1-15-11(14)12(7-10(12)8-13)9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3
InChIKeyKGZIABSJBDPTEK-UHFFFAOYSA-N
XLogP1.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(hydroxymethyl)-1-phenylcyclopropane-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 (1S)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate;hydrochloride
CID 45261511
cis-(1S,2R)-2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid
CID 10954383
cis-methyl (1R,2S)-2-[(dicyclohexylamino)methyl]-1-phenylcyclopropane-1-carboxylate
CID 101061974
ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate
CID 13245327
methyl 2-(aminomethyl)-1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 90071602
methyl 1-phenyl-2-(piperidin-1-ylmethyl)cyclobutane-1-carboxylate
CID 70277896
1-(2-chlorophenyl)-N-methylmethanamine;cis-(1S,2R)-2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid
CID 172826584
cis-methyl (1S,2R)-2-butoxy-1-phenylcyclopropane-1-carboxylate
CID 15482916
cis-methyl (1R,2S)-2-[[(1S,5R)-3-(4-chlorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]-1-phenylcyclopropane-1-carboxylate
CID 53248109
trans-methyl (1S,2S)-2-(methylaminomethyl)-1-naphthalen-2-ylcyclopropane-1-carboxylate
CID 71464996
trans-methyl (1S,2R)-2-(4-tert-butylphenyl)-1-phenylcyclopropane-1-carboxylate
CID 122384881
methyl (1S)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxylate;oxalic acid
CID 146160203

Frequently Asked Questions

What is the IUPAC name of methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate?
The IUPAC name of methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate (CID 58725238) is methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate is COC(=O)C1(c2ccccc2)CC1CO.
What is the InChIKey of methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate?
The InChIKey is KGZIABSJBDPTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-15-11(14)12(7-10(12)8-13)9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3.
What are the key properties of methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate?
methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate has a molecular weight of 206.24 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 58725238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).