2-[1-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid

C17H24O3 — CID 117442730

IUPAC2-[1-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
SMILESCCc1cc(C2(CC(=O)O)CC2)cc(C(C)C)c1OC
InChIInChI=1S/C17H24O3/c1-5-12-8-13(17(6-7-17)10-15(18)19)9-14(11(2)3)16(12)20-4/h8-9,11H,5-7,10H2,1-4H3,(H,18,19)
InChIKeyNZULVYQQWIQHNF-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.89
Rot. Bonds6

About 2-[1-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid

2-[1-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid (PubChem CID 117442730) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[1-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
PubChem CID117442730
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name2-[1-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
SMILESCCc1cc(C2(CC(=O)O)CC2)cc(C(C)C)c1OC
InChIInChI=1S/C17H24O3/c1-5-12-8-13(17(6-7-17)10-15(18)19)9-14(11(2)3)16(12)20-4/h8-9,11H,5-7,10H2,1-4H3,(H,18,19)
InChIKeyNZULVYQQWIQHNF-UHFFFAOYSA-N
XLogP3.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[4-methoxy-3,5-di(propan-2-yl)phenyl]cyclopropyl]acetic acid
CID 117469305
2-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117446176
2-[1-(3-bromo-5-fluoro-4-methoxyphenyl)cyclopropyl]acetic acid
CID 117487851
2-[1-(3-cyano-5-fluoro-4-methoxyphenyl)cyclopropyl]acetic acid
CID 117375408
[1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclopropyl]methanamine
CID 117339009
2-[1-(5-ethyl-2,3-dimethoxyphenyl)cyclopropyl]acetic acid
CID 117415105
2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid
CID 115003452
2-[1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449952
2-[1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropyl]acetic acid
CID 117383717
2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
CID 82077265
1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
CID 117442709
2-[1-(3-bromo-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid
CID 84816122

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid (CID 117442730) is 2-[1-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid is CCc1cc(C2(CC(=O)O)CC2)cc(C(C)C)c1OC.
What is the InChIKey of 2-[1-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid?
The InChIKey is NZULVYQQWIQHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-5-12-8-13(17(6-7-17)10-15(18)19)9-14(11(2)3)16(12)20-4/h8-9,11H,5-7,10H2,1-4H3,(H,18,19).
What are the key properties of 2-[1-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid?
2-[1-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid has a molecular weight of 276.38 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 117442730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).