1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid

C17H16O4 — CID 117457732

IUPAC1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(OCc3ccccc3)c2O)CC1
InChIInChI=1S/C17H16O4/c18-15-13(17(9-10-17)16(19)20)7-4-8-14(15)21-11-12-5-2-1-3-6-12/h1-8,18H,9-11H2,(H,19,20)
InChIKeyORBOVKQLSZGDKL-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.09
Rot. Bonds5

About 1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid

1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117457732) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID117457732
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(OCc3ccccc3)c2O)CC1
InChIInChI=1S/C17H16O4/c18-15-13(17(9-10-17)16(19)20)7-4-8-14(15)21-11-12-5-2-1-3-6-12/h1-8,18H,9-11H2,(H,19,20)
InChIKeyORBOVKQLSZGDKL-UHFFFAOYSA-N
XLogP3.09
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopentane-1-carboxylic acid
CID 117497648
methyl 1-[2,6-bis(phenylmethoxy)phenyl]cyclopropane-1-carboxylate
CID 146486756
2-[1-(aminomethyl)cyclohexyl]-6-phenylmethoxyphenol
CID 117496323
2-(1-isocyanatocyclobutyl)-6-phenylmethoxyphenol
CID 117476020
1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782
2-bromo-6-phenylmethoxyphenol
CID 67346586
2-(aminomethyl)-6-phenylmethoxyphenol
CID 117330545
(2-hydroxy-3-phenylmethoxyphenyl)methanediol
CID 155107233
3-(2-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoic acid
CID 117461801
1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117484065
2-[2-methyl-1-(2-phenylmethoxyphenyl)cyclopropyl]oxyacetic acid
CID 174211752
8-(2-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 70007611

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid (CID 117457732) is 1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2cccc(OCc3ccccc3)c2O)CC1.
What is the InChIKey of 1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is ORBOVKQLSZGDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c18-15-13(17(9-10-17)16(19)20)7-4-8-14(15)21-11-12-5-2-1-3-6-12/h1-8,18H,9-11H2,(H,19,20).
What are the key properties of 1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid?
1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117457732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).