1-[2-(cyclopropylmethoxy)-5-methylphenyl]cyclopropane-1-carboxylic acid

C15H18O3 — CID 117367982

IUPAC1-[2-(cyclopropylmethoxy)-5-methylphenyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(OCC2CC2)c(C2(C(=O)O)CC2)c1
InChIInChI=1S/C15H18O3/c1-10-2-5-13(18-9-11-3-4-11)12(8-10)15(6-7-15)14(16)17/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,16,17)
InChIKeyYXPAGYRDXFSNMF-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.90
Rot. Bonds5

About 1-[2-(cyclopropylmethoxy)-5-methylphenyl]cyclopropane-1-carboxylic acid

1-[2-(cyclopropylmethoxy)-5-methylphenyl]cyclopropane-1-carboxylic acid (PubChem CID 117367982) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)-5-methylphenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)-5-methylphenyl]cyclopropane-1-carboxylic acid
PubChem CID117367982
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name1-[2-(cyclopropylmethoxy)-5-methylphenyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(OCC2CC2)c(C2(C(=O)O)CC2)c1
InChIInChI=1S/C15H18O3/c1-10-2-5-13(18-9-11-3-4-11)12(8-10)15(6-7-15)14(16)17/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,16,17)
InChIKeyYXPAGYRDXFSNMF-UHFFFAOYSA-N
XLogP2.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxylic acid
CID 117493653
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]cyclopentane-1-carboxylic acid
CID 117493677
2-[2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
CID 117340664
2-[2-(cyclopropylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid
CID 117344706
1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclohexan-1-amine
CID 117436613
[2-(cyclopropylmethoxy)-5-methylphenyl]boronic acid
CID 43560577
1-[1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclopropyl]ethanamine
CID 117402799
3-amino-2-[2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
CID 117376384
2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
2-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid
CID 117379136
2-[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclopropyl]acetic acid
CID 117466033
2-(2-methoxy-5-methylphenyl)spiro[3.4]octane-2-carboxylic acid
CID 65003014

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)-5-methylphenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-(cyclopropylmethoxy)-5-methylphenyl]cyclopropane-1-carboxylic acid (CID 117367982) is 1-[2-(cyclopropylmethoxy)-5-methylphenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)-5-methylphenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)-5-methylphenyl]cyclopropane-1-carboxylic acid is Cc1ccc(OCC2CC2)c(C2(C(=O)O)CC2)c1.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)-5-methylphenyl]cyclopropane-1-carboxylic acid?
The InChIKey is YXPAGYRDXFSNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-10-2-5-13(18-9-11-3-4-11)12(8-10)15(6-7-15)14(16)17/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,16,17).
What are the key properties of 1-[2-(cyclopropylmethoxy)-5-methylphenyl]cyclopropane-1-carboxylic acid?
1-[2-(cyclopropylmethoxy)-5-methylphenyl]cyclopropane-1-carboxylic acid has a molecular weight of 246.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)-5-methylphenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117367982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).