1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid

C12H14O5 — CID 117348579

IUPAC1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cc(OC)c(C2(C(=O)O)CC2)cc1O
InChIInChI=1S/C12H14O5/c1-16-9-6-10(17-2)8(13)5-7(9)12(3-4-12)11(14)15/h5-6,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyVCEZPGSDJVPEHC-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.53
Rot. Bonds4

About 1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid

1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117348579) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID117348579
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cc(OC)c(C2(C(=O)O)CC2)cc1O
InChIInChI=1S/C12H14O5/c1-16-9-6-10(17-2)8(13)5-7(9)12(3-4-12)11(14)15/h5-6,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyVCEZPGSDJVPEHC-UHFFFAOYSA-N
XLogP1.53
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 105425975
1-(4-hydroxy-2,5-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383425
1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117324881
1-(4-tert-butyl-5-hydroxy-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117446135
1-(2-chloro-4,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 105424298
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]cyclopropane-1-carboxylic acid
CID 117388480
1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782
1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 82496751
1-(2-hydroxy-5-methoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 117344803
ethane;1-(3-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 143872791
1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)cyclopentane-1-carboxylic acid
CID 117445897
1-(5-tert-butyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 82296346

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid (CID 117348579) is 1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid is COc1cc(OC)c(C2(C(=O)O)CC2)cc1O.
What is the InChIKey of 1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is VCEZPGSDJVPEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-16-9-6-10(17-2)8(13)5-7(9)12(3-4-12)11(14)15/h5-6,13H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid?
1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117348579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).