1-[2-methoxy-3-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid

C15H20O4 — CID 117415224

IUPAC1-[2-methoxy-3-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
SMILESCOCc1cccc(C2(C(=O)O)CCCC2)c1OC
InChIInChI=1S/C15H20O4/c1-18-10-11-6-5-7-12(13(11)19-2)15(14(16)17)8-3-4-9-15/h5-7H,3-4,8-10H2,1-2H3,(H,16,17)
InChIKeyJWHKUUIXEJDSAC-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.74
Rot. Bonds5

About 1-[2-methoxy-3-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid

1-[2-methoxy-3-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid (PubChem CID 117415224) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[2-methoxy-3-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-methoxy-3-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
PubChem CID117415224
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name1-[2-methoxy-3-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
SMILESCOCc1cccc(C2(C(=O)O)CCCC2)c1OC
InChIInChI=1S/C15H20O4/c1-18-10-11-6-5-7-12(13(11)19-2)15(14(16)17)8-3-4-9-15/h5-7H,3-4,8-10H2,1-2H3,(H,16,17)
InChIKeyJWHKUUIXEJDSAC-UHFFFAOYSA-N
XLogP2.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117490420
2-[2-methoxy-3-(methoxymethyl)phenyl]acetic acid
CID 83884874
1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117442750
1-[2,5-difluoro-4-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117428758
1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782
1-[5-bromo-2-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117481795
1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]cyclopentane-1-carboxylic acid
CID 117114147
1-[2-hydroxy-3-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117344777
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117383747
1-[2,6-difluoro-3-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117393638
1-(2-cyclopropyloxy-3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117469164

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-3-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-methoxy-3-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid (CID 117415224) is 1-[2-methoxy-3-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-methoxy-3-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-methoxy-3-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid is COCc1cccc(C2(C(=O)O)CCCC2)c1OC.
What is the InChIKey of 1-[2-methoxy-3-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is JWHKUUIXEJDSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-18-10-11-6-5-7-12(13(11)19-2)15(14(16)17)8-3-4-9-15/h5-7H,3-4,8-10H2,1-2H3,(H,16,17).
What are the key properties of 1-[2-methoxy-3-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid?
1-[2-methoxy-3-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-3-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117415224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).