1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid

C18H18O4 — CID 82039519

IUPAC1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(OC)c(-c2ccc(C3(C(=O)O)CC3)cc2)c1
InChIInChI=1S/C18H18O4/c1-21-14-7-8-16(22-2)15(11-14)12-3-5-13(6-4-12)18(9-10-18)17(19)20/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyCVKLQASZOPJVRP-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.49
Rot. Bonds5

About 1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid

1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 82039519) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID82039519
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(OC)c(-c2ccc(C3(C(=O)O)CC3)cc2)c1
InChIInChI=1S/C18H18O4/c1-21-14-7-8-16(22-2)15(11-14)12-3-5-13(6-4-12)18(9-10-18)17(19)20/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyCVKLQASZOPJVRP-UHFFFAOYSA-N
XLogP3.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-amino-4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 82039271
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 16770133
4-[4-(2,5-dimethoxyphenyl)phenyl]piperazine-1-carboxylic acid
CID 69366638
ethane;1-(3-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 143872791
1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83556280
1-(4-methoxy-3-methylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 117384290
1-[4-(dideuteriomethoxy)phenyl]cyclopropane-1-carboxylic acid
CID 88598145
4-[4-(3-methoxyphenyl)phenyl]oxane-4-carboxylic acid
CID 169449694
5-(2,5-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53211472
2-[1-(4-methoxy-3-phenylphenyl)cyclopropyl]acetic acid
CID 117453777
1-[4-(2-hydroxyethoxy)phenyl]cyclopropane-1-carboxylic acid
CID 117317655

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid (CID 82039519) is 1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid is COc1ccc(OC)c(-c2ccc(C3(C(=O)O)CC3)cc2)c1.
What is the InChIKey of 1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is CVKLQASZOPJVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-21-14-7-8-16(22-2)15(11-14)12-3-5-13(6-4-12)18(9-10-18)17(19)20/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of 1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid?
1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82039519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).