ethane;methyl 1-(4-hydroxy-3,5-dimethylphenyl)cyclopropane-1-carboxylate

C15H22O3 — CID 143988638

IUPACethane;methyl 1-(4-hydroxy-3,5-dimethylphenyl)cyclopropane-1-carboxylate
SMILESCC.COC(=O)C1(c2cc(C)c(O)c(C)c2)CC1
InChIInChI=1S/C13H16O3.C2H6/c1-8-6-10(7-9(2)11(8)14)13(4-5-13)12(15)16-3;1-2/h6-7,14H,4-5H2,1-3H3;1-2H3
InChIKeyIPORKVVLGXPBEB-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.24
Rot. Bonds2

About ethane;methyl 1-(4-hydroxy-3,5-dimethylphenyl)cyclopropane-1-carboxylate

ethane;methyl 1-(4-hydroxy-3,5-dimethylphenyl)cyclopropane-1-carboxylate (PubChem CID 143988638) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethane;methyl 1-(4-hydroxy-3,5-dimethylphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethane;methyl 1-(4-hydroxy-3,5-dimethylphenyl)cyclopropane-1-carboxylate
PubChem CID143988638
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Nameethane;methyl 1-(4-hydroxy-3,5-dimethylphenyl)cyclopropane-1-carboxylate
SMILESCC.COC(=O)C1(c2cc(C)c(O)c(C)c2)CC1
InChIInChI=1S/C13H16O3.C2H6/c1-8-6-10(7-9(2)11(8)14)13(4-5-13)12(15)16-3;1-2/h6-7,14H,4-5H2,1-3H3;1-2H3
InChIKeyIPORKVVLGXPBEB-UHFFFAOYSA-N
XLogP3.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;methyl 1-(4-hydroxy-3,5-dimethylphenyl)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

methyl 1-(4-hydroxy-3-iodo-5-methylphenyl)cyclopropane-1-carboxylate
CID 59272528
methyl 1-(3-methylphenyl)cyclopropane-1-carboxylate
CID 105444214
1-(3-bromo-4-hydroxy-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 117430241
methyl 1-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylate
CID 116964024
methyl 4,4-bis(4-hydroxy-3,5-dimethylphenyl)cyclohexane-1-carboxylate
CID 14204751
methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate
CID 89448912
methyl 1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate
CID 116963958
methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 59175396
methyl 1-(2-methoxy-4,6-dimethylphenyl)cyclopropane-1-carboxylate
CID 116964011
1-(3-bromo-4-hydroxy-5-methylphenyl)cyclobutane-1-carboxylic acid
CID 117458909
methyl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724218
methyl 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carboxylate
CID 90298966

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 1-(4-hydroxy-3,5-dimethylphenyl)cyclopropane-1-carboxylate?
The IUPAC name of ethane;methyl 1-(4-hydroxy-3,5-dimethylphenyl)cyclopropane-1-carboxylate (CID 143988638) is ethane;methyl 1-(4-hydroxy-3,5-dimethylphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethane;methyl 1-(4-hydroxy-3,5-dimethylphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethane;methyl 1-(4-hydroxy-3,5-dimethylphenyl)cyclopropane-1-carboxylate is CC.COC(=O)C1(c2cc(C)c(O)c(C)c2)CC1.
What is the InChIKey of ethane;methyl 1-(4-hydroxy-3,5-dimethylphenyl)cyclopropane-1-carboxylate?
The InChIKey is IPORKVVLGXPBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3.C2H6/c1-8-6-10(7-9(2)11(8)14)13(4-5-13)12(15)16-3;1-2/h6-7,14H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;methyl 1-(4-hydroxy-3,5-dimethylphenyl)cyclopropane-1-carboxylate?
ethane;methyl 1-(4-hydroxy-3,5-dimethylphenyl)cyclopropane-1-carboxylate has a molecular weight of 250.34 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 1-(4-hydroxy-3,5-dimethylphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 143988638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).