2-[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclopropyl]acetic acid

C18H24O3 — CID 117466033

IUPAC2-[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclopropyl]acetic acid
SMILESCc1cc(OCC2CCC2)c(C2(CC(=O)O)CC2)cc1C
InChIInChI=1S/C18H24O3/c1-12-8-15(18(6-7-18)10-17(19)20)16(9-13(12)2)21-11-14-4-3-5-14/h8-9,14H,3-7,10-11H2,1-2H3,(H,19,20)
InChIKeyWPPLLJJKWKKYLD-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.99
Rot. Bonds6

About 2-[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclopropyl]acetic acid

2-[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclopropyl]acetic acid (PubChem CID 117466033) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclopropyl]acetic acid
PubChem CID117466033
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name2-[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclopropyl]acetic acid
SMILESCc1cc(OCC2CCC2)c(C2(CC(=O)O)CC2)cc1C
InChIInChI=1S/C18H24O3/c1-12-8-15(18(6-7-18)10-17(19)20)16(9-13(12)2)21-11-14-4-3-5-14/h8-9,14H,3-7,10-11H2,1-2H3,(H,19,20)
InChIKeyWPPLLJJKWKKYLD-UHFFFAOYSA-N
XLogP3.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclobutyl]methanamine
CID 117436607
1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]propan-2-one
CID 117368520
2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetic acid
CID 117415272
3-(cyclobutylmethoxy)-4-methylbenzoic acid
CID 65458690
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822
1-[2-(cyclopropylmethoxy)-5-methylphenyl]cyclopropane-1-carboxylic acid
CID 117367982
2-[1-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)cyclopropyl]acetic acid
CID 117378973
ethyl 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetate
CID 117472199
2-[1-(4-fluoro-2,5-dimethylphenyl)cyclopropyl]acetic acid
CID 84788583
2-[1-(4-cyclopentyloxy-3-methoxyphenyl)cyclopropyl]acetic acid
CID 117469213
3-(cyclobutylmethoxy)-6-methylpyridine-2-carboxylic acid
CID 79157043
1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclohexan-1-amine
CID 117436613

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclopropyl]acetic acid (CID 117466033) is 2-[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclopropyl]acetic acid is Cc1cc(OCC2CCC2)c(C2(CC(=O)O)CC2)cc1C.
What is the InChIKey of 2-[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclopropyl]acetic acid?
The InChIKey is WPPLLJJKWKKYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-12-8-15(18(6-7-18)10-17(19)20)16(9-13(12)2)21-11-14-4-3-5-14/h8-9,14H,3-7,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclopropyl]acetic acid?
2-[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclopropyl]acetic acid has a molecular weight of 288.39 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 117466033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).