2-[1-(4-methoxy-3-phenylphenyl)cyclopropyl]acetic acid

C18H18O3 — CID 117453777

IUPAC2-[1-(4-methoxy-3-phenylphenyl)cyclopropyl]acetic acid
SMILESCOc1ccc(C2(CC(=O)O)CC2)cc1-c1ccccc1
InChIInChI=1S/C18H18O3/c1-21-16-8-7-14(18(9-10-18)12-17(19)20)11-15(16)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyNZGYDQLUFHKVJB-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.87
Rot. Bonds5

About 2-[1-(4-methoxy-3-phenylphenyl)cyclopropyl]acetic acid

2-[1-(4-methoxy-3-phenylphenyl)cyclopropyl]acetic acid (PubChem CID 117453777) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[1-(4-methoxy-3-phenylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-methoxy-3-phenylphenyl)cyclopropyl]acetic acid
PubChem CID117453777
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name2-[1-(4-methoxy-3-phenylphenyl)cyclopropyl]acetic acid
SMILESCOc1ccc(C2(CC(=O)O)CC2)cc1-c1ccccc1
InChIInChI=1S/C18H18O3/c1-21-16-8-7-14(18(9-10-18)12-17(19)20)11-15(16)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyNZGYDQLUFHKVJB-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

2-[1-(4-methoxy-3-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117384277
2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid
CID 82087894
2-[1-(4-cyclopentyloxy-3-methoxyphenyl)cyclopropyl]acetic acid
CID 117469213
2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
CID 82077265
2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid
CID 115003452
2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107682
2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107684
1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 82039519
2-(2,5-dimethoxy-4-phenylphenyl)acetic acid
CID 4270797
2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid
CID 117410634
2-[1-(3-bromo-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid
CID 84816122
2-[1-(1-methoxyisoquinolin-7-yl)cyclopropyl]acetic acid
CID 117396222

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxy-3-phenylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(4-methoxy-3-phenylphenyl)cyclopropyl]acetic acid (CID 117453777) is 2-[1-(4-methoxy-3-phenylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(4-methoxy-3-phenylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(4-methoxy-3-phenylphenyl)cyclopropyl]acetic acid is COc1ccc(C2(CC(=O)O)CC2)cc1-c1ccccc1.
What is the InChIKey of 2-[1-(4-methoxy-3-phenylphenyl)cyclopropyl]acetic acid?
The InChIKey is NZGYDQLUFHKVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-21-16-8-7-14(18(9-10-18)12-17(19)20)11-15(16)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,19,20).
What are the key properties of 2-[1-(4-methoxy-3-phenylphenyl)cyclopropyl]acetic acid?
2-[1-(4-methoxy-3-phenylphenyl)cyclopropyl]acetic 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 2-[1-(4-methoxy-3-phenylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 117453777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).