methyl 2-[2-(4-hydroxyphenyl)propyl]cyclopropane-1-carboxylate

C14H18O3 — CID 83930458

IUPACmethyl 2-[2-(4-hydroxyphenyl)propyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1CC(C)c1ccc(O)cc1
InChIInChI=1S/C14H18O3/c1-9(10-3-5-12(15)6-4-10)7-11-8-13(11)14(16)17-2/h3-6,9,11,13,15H,7-8H2,1-2H3
InChIKeyZEVIDCKHTRXXHH-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.69
Rot. Bonds4

About methyl 2-[2-(4-hydroxyphenyl)propyl]cyclopropane-1-carboxylate

methyl 2-[2-(4-hydroxyphenyl)propyl]cyclopropane-1-carboxylate (PubChem CID 83930458) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl 2-[2-(4-hydroxyphenyl)propyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(4-hydroxyphenyl)propyl]cyclopropane-1-carboxylate
PubChem CID83930458
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Namemethyl 2-[2-(4-hydroxyphenyl)propyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1CC(C)c1ccc(O)cc1
InChIInChI=1S/C14H18O3/c1-9(10-3-5-12(15)6-4-10)7-11-8-13(11)14(16)17-2/h3-6,9,11,13,15H,7-8H2,1-2H3
InChIKeyZEVIDCKHTRXXHH-UHFFFAOYSA-N
XLogP2.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate
CID 83931003
methyl 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylate
CID 83928797
methyl 2-[2-(4-ethylsulfonylphenyl)propyl]cyclopropane-1-carboxylate
CID 83927264
methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxylate
CID 83922196
methyl 2-[2-(3-methylsulfonylphenyl)propyl]cyclopropane-1-carboxylate
CID 83926526
methyl 2-[2-(3-bromo-4-ethylphenyl)propyl]cyclopropane-1-carboxylate
CID 83921729
methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83938424
methyl 2-[2-(2-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83929095
methyl 2-[2-(2,3-difluorophenyl)propyl]cyclopropane-1-carboxylate
CID 83925556
methyl 2-[2-(5-tert-butyl-2-methylphenyl)propyl]cyclopropane-1-carboxylate
CID 83935426
methyl 2-[2-(4-propoxyphenyl)butyl]cyclopropane-1-carboxylate
CID 83932388
methyl 2-[2-(4-ethoxy-2-methylphenyl)propyl]cyclopropane-1-carboxylate
CID 83936699

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-hydroxyphenyl)propyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[2-(4-hydroxyphenyl)propyl]cyclopropane-1-carboxylate (CID 83930458) is methyl 2-[2-(4-hydroxyphenyl)propyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(4-hydroxyphenyl)propyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(4-hydroxyphenyl)propyl]cyclopropane-1-carboxylate is COC(=O)C1CC1CC(C)c1ccc(O)cc1.
What is the InChIKey of methyl 2-[2-(4-hydroxyphenyl)propyl]cyclopropane-1-carboxylate?
The InChIKey is ZEVIDCKHTRXXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-9(10-3-5-12(15)6-4-10)7-11-8-13(11)14(16)17-2/h3-6,9,11,13,15H,7-8H2,1-2H3.
What are the key properties of methyl 2-[2-(4-hydroxyphenyl)propyl]cyclopropane-1-carboxylate?
methyl 2-[2-(4-hydroxyphenyl)propyl]cyclopropane-1-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-hydroxyphenyl)propyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 83930458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).