2-[4-(1-methylcyclopentyl)oxyphenyl]acetic acid

C14H18O3 — CID 117045788

IUPAC2-[4-(1-methylcyclopentyl)oxyphenyl]acetic acid
SMILESCC1(Oc2ccc(CC(=O)O)cc2)CCCC1
InChIInChI=1S/C14H18O3/c1-14(8-2-3-9-14)17-12-6-4-11(5-7-12)10-13(15)16/h4-7H,2-3,8-10H2,1H3,(H,15,16)
InChIKeyJWRVZNOQWBBHEG-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.03
Rot. Bonds4

About 2-[4-(1-methylcyclopentyl)oxyphenyl]acetic acid

2-[4-(1-methylcyclopentyl)oxyphenyl]acetic acid (PubChem CID 117045788) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[4-(1-methylcyclopentyl)oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-methylcyclopentyl)oxyphenyl]acetic acid
PubChem CID117045788
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name2-[4-(1-methylcyclopentyl)oxyphenyl]acetic acid
SMILESCC1(Oc2ccc(CC(=O)O)cc2)CCCC1
InChIInChI=1S/C14H18O3/c1-14(8-2-3-9-14)17-12-6-4-11(5-7-12)10-13(15)16/h4-7H,2-3,8-10H2,1H3,(H,15,16)
InChIKeyJWRVZNOQWBBHEG-UHFFFAOYSA-N
XLogP3.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylcyclopentyl)oxyphenyl]acetic acid?
The IUPAC name of 2-[4-(1-methylcyclopentyl)oxyphenyl]acetic acid (CID 117045788) is 2-[4-(1-methylcyclopentyl)oxyphenyl]acetic acid.
What is the SMILES notation for 2-[4-(1-methylcyclopentyl)oxyphenyl]acetic acid?
The canonical SMILES for 2-[4-(1-methylcyclopentyl)oxyphenyl]acetic acid is CC1(Oc2ccc(CC(=O)O)cc2)CCCC1.
What is the InChIKey of 2-[4-(1-methylcyclopentyl)oxyphenyl]acetic acid?
The InChIKey is JWRVZNOQWBBHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-14(8-2-3-9-14)17-12-6-4-11(5-7-12)10-13(15)16/h4-7H,2-3,8-10H2,1H3,(H,15,16).
What are the key properties of 2-[4-(1-methylcyclopentyl)oxyphenyl]acetic acid?
2-[4-(1-methylcyclopentyl)oxyphenyl]acetic acid has a molecular weight of 234.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylcyclopentyl)oxyphenyl]acetic acid is sourced from PubChem (CID 117045788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).