2-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid

C14H18O4 — CID 116927040

IUPAC2-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid
SMILESCOc1cc(CC2CC2C(=O)O)c(OC)cc1C
InChIInChI=1S/C14H18O4/c1-8-4-13(18-3)10(7-12(8)17-2)5-9-6-11(9)14(15)16/h4,7,9,11H,5-6H2,1-3H3,(H,15,16)
InChIKeyQXIOVZDCTVGUJQ-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.28
Rot. Bonds5

About 2-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid

2-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 116927040) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid
PubChem CID116927040
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name2-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid
SMILESCOc1cc(CC2CC2C(=O)O)c(OC)cc1C
InChIInChI=1S/C14H18O4/c1-8-4-13(18-3)10(7-12(8)17-2)5-9-6-11(9)14(15)16/h4,7,9,11H,5-6H2,1-3H3,(H,15,16)
InChIKeyQXIOVZDCTVGUJQ-UHFFFAOYSA-N
XLogP2.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221393
2-[(5-bromo-2-methylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116927077
3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine
CID 82286623
methyl 2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopropane-1-carboxylate
CID 83927871
4-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclohexan-1-amine
CID 116926249
N-[(2,5-dimethoxy-4-methylphenyl)methyl]carbamoyl chloride
CID 115194658
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116927037
N-cyclopentyl-2-(2,5-dimethoxy-4-methylphenyl)acetamide
CID 110769695
(3aR,6aS)-2-[(4,5-dimethoxy-2-methylphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylic acid
CID 166273181
2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid
CID 84668061
[1-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropyl]methanol
CID 116928883
1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene
CID 4096780

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid (CID 116927040) is 2-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid is COc1cc(CC2CC2C(=O)O)c(OC)cc1C.
What is the InChIKey of 2-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is QXIOVZDCTVGUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-8-4-13(18-3)10(7-12(8)17-2)5-9-6-11(9)14(15)16/h4,7,9,11H,5-6H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid?
2-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 250.29 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116927040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).