1-[3-methoxy-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid

C13H16O4 — CID 117344792

IUPAC1-[3-methoxy-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid
SMILESCOCc1cc(OC)cc(C2(C(=O)O)CC2)c1
InChIInChI=1S/C13H16O4/c1-16-8-9-5-10(7-11(6-9)17-2)13(3-4-13)12(14)15/h5-7H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyMVPYGCVXPHGIJG-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.96
Rot. Bonds5

About 1-[3-methoxy-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid

1-[3-methoxy-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 117344792) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-[3-methoxy-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-methoxy-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID117344792
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name1-[3-methoxy-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid
SMILESCOCc1cc(OC)cc(C2(C(=O)O)CC2)c1
InChIInChI=1S/C13H16O4/c1-16-8-9-5-10(7-11(6-9)17-2)13(3-4-13)12(14)15/h5-7H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyMVPYGCVXPHGIJG-UHFFFAOYSA-N
XLogP1.96
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-methoxy-5-(methoxymethyl)phenyl]propan-2-one
CID 117297433
1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117321555
2-amino-2-[3-methoxy-5-(methoxymethyl)phenyl]acetic acid
CID 117323071
1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83556280
1-[3-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]cyclobutane-1-carboxylic acid
CID 42601467
1-[4-[4-(2-methoxyethoxymethyl)phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 90046930
1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117389837
1-[3-(methoxymethyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxylic acid
CID 96612609
1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 82039519
1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117383760
1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117363594
1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117363591

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[3-methoxy-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid (CID 117344792) is 1-[3-methoxy-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[3-methoxy-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[3-methoxy-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid is COCc1cc(OC)cc(C2(C(=O)O)CC2)c1.
What is the InChIKey of 1-[3-methoxy-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is MVPYGCVXPHGIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-16-8-9-5-10(7-11(6-9)17-2)13(3-4-13)12(14)15/h5-7H,3-4,8H2,1-2H3,(H,14,15).
What are the key properties of 1-[3-methoxy-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid?
1-[3-methoxy-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117344792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).