2-[1-(4-cyclopentyloxy-3-methoxyphenyl)cyclopropyl]acetic acid

C17H22O4 — CID 117469213

IUPAC2-[1-(4-cyclopentyloxy-3-methoxyphenyl)cyclopropyl]acetic acid
SMILESCOc1cc(C2(CC(=O)O)CC2)ccc1OC1CCCC1
InChIInChI=1S/C17H22O4/c1-20-15-10-12(17(8-9-17)11-16(18)19)6-7-14(15)21-13-4-2-3-5-13/h6-7,10,13H,2-5,8-9,11H2,1H3,(H,18,19)
InChIKeyRZDXADOSKLNFBN-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.52
Rot. Bonds6

About 2-[1-(4-cyclopentyloxy-3-methoxyphenyl)cyclopropyl]acetic acid

2-[1-(4-cyclopentyloxy-3-methoxyphenyl)cyclopropyl]acetic acid (PubChem CID 117469213) has the molecular formula C17H22O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-(4-cyclopentyloxy-3-methoxyphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-cyclopentyloxy-3-methoxyphenyl)cyclopropyl]acetic acid
PubChem CID117469213
Molecular FormulaC17H22O4
Molecular Weight290.36 g/mol
Exact Mass290.15
IUPAC Name2-[1-(4-cyclopentyloxy-3-methoxyphenyl)cyclopropyl]acetic acid
SMILESCOc1cc(C2(CC(=O)O)CC2)ccc1OC1CCCC1
InChIInChI=1S/C17H22O4/c1-20-15-10-12(17(8-9-17)11-16(18)19)6-7-14(15)21-13-4-2-3-5-13/h6-7,10,13H,2-5,8-9,11H2,1H3,(H,18,19)
InChIKeyRZDXADOSKLNFBN-UHFFFAOYSA-N
XLogP3.52
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-chloro-4-cyclobutyloxyphenyl)cyclopropyl]acetic acid
CID 117450821
1-(4-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117410191
3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(hydroxymethyl)cyclobutan-1-one
CID 23298807
2-[1-(4-methoxy-3-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117384277
2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid
CID 82087894
1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 19976886
2-[1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]acetic acid
CID 117495625
2-[1-(4-methoxy-3-phenylphenyl)cyclopropyl]acetic acid
CID 117453777
2-[4-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]oxan-4-yl]acetic acid
CID 119215445
[1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]methanamine
CID 117488616
3-(4-cyclopentyloxy-3-methoxyphenyl)-3-methylbutanoic acid
CID 117472193
1-cyclopentyloxy-4-(1-isocyanatocyclopropyl)-2-methoxybenzene
CID 117435814

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyclopentyloxy-3-methoxyphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(4-cyclopentyloxy-3-methoxyphenyl)cyclopropyl]acetic acid (CID 117469213) is 2-[1-(4-cyclopentyloxy-3-methoxyphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(4-cyclopentyloxy-3-methoxyphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(4-cyclopentyloxy-3-methoxyphenyl)cyclopropyl]acetic acid is COc1cc(C2(CC(=O)O)CC2)ccc1OC1CCCC1.
What is the InChIKey of 2-[1-(4-cyclopentyloxy-3-methoxyphenyl)cyclopropyl]acetic acid?
The InChIKey is RZDXADOSKLNFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O4/c1-20-15-10-12(17(8-9-17)11-16(18)19)6-7-14(15)21-13-4-2-3-5-13/h6-7,10,13H,2-5,8-9,11H2,1H3,(H,18,19).
What are the key properties of 2-[1-(4-cyclopentyloxy-3-methoxyphenyl)cyclopropyl]acetic acid?
2-[1-(4-cyclopentyloxy-3-methoxyphenyl)cyclopropyl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyclopentyloxy-3-methoxyphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 117469213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).