1-[4-(2-ethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid

C18H18O3 — CID 169409122

IUPAC1-[4-(2-ethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
SMILESCCOc1ccccc1-c1ccc(C2(C(=O)O)CC2)cc1
InChIInChI=1S/C18H18O3/c1-2-21-16-6-4-3-5-15(16)13-7-9-14(10-8-13)18(11-12-18)17(19)20/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyCTFNYUFPBPLTSV-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.87
Rot. Bonds5

About 1-[4-(2-ethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid

1-[4-(2-ethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 169409122) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[4-(2-ethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-ethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID169409122
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name1-[4-(2-ethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
SMILESCCOc1ccccc1-c1ccc(C2(C(=O)O)CC2)cc1
InChIInChI=1S/C18H18O3/c1-2-21-16-6-4-3-5-15(16)13-7-9-14(10-8-13)18(11-12-18)17(19)20/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyCTFNYUFPBPLTSV-UHFFFAOYSA-N
XLogP3.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
1-[4-(2-ethoxyphenyl)phenyl]ethanone
CID 62801533
1-(3-ethoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 134547519
1-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 82286246
4-(2-ethoxyphenyl)phenol
CID 83129672
1-(4-ethoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937797
4-(2-ethoxyphenyl)pyridine
CID 23466193
4-(2-ethoxyphenyl)benzaldehyde
CID 62801534
1-[4-(2-hydroxyethoxy)phenyl]cyclopropane-1-carboxylic acid
CID 117317655
2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenoxy]propanoic acid
CID 167765117
1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 82039519
1-[4-[2-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 175512595

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(2-ethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid (CID 169409122) is 1-[4-(2-ethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(2-ethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(2-ethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid is CCOc1ccccc1-c1ccc(C2(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[4-(2-ethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is CTFNYUFPBPLTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-2-21-16-6-4-3-5-15(16)13-7-9-14(10-8-13)18(11-12-18)17(19)20/h3-10H,2,11-12H2,1H3,(H,19,20).
What are the key properties of 1-[4-(2-ethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid?
1-[4-(2-ethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 169409122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).