2-(3-ethoxyphenyl)acetic acid

C10H12O3 — CID 4315987

IUPAC2-(3-ethoxyphenyl)acetic acid
SMILESCCOc1cccc(CC(=O)O)c1
InChIInChI=1S/C10H12O3/c1-2-13-9-5-3-4-8(6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChIKeyHRFLULLBPLPBSW-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.71
Rot. Bonds4

About 2-(3-ethoxyphenyl)acetic acid

2-(3-ethoxyphenyl)acetic acid (PubChem CID 4315987) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)acetic acid
PubChem CID4315987
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-(3-ethoxyphenyl)acetic acid
SMILESCCOc1cccc(CC(=O)O)c1
InChIInChI=1S/C10H12O3/c1-2-13-9-5-3-4-8(6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChIKeyHRFLULLBPLPBSW-UHFFFAOYSA-N
XLogP1.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)acetic acid?
The IUPAC name of 2-(3-ethoxyphenyl)acetic acid (CID 4315987) is 2-(3-ethoxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-ethoxyphenyl)acetic acid?
The canonical SMILES for 2-(3-ethoxyphenyl)acetic acid is CCOc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)acetic acid?
The InChIKey is HRFLULLBPLPBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-2-13-9-5-3-4-8(6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12).
What are the key properties of 2-(3-ethoxyphenyl)acetic acid?
2-(3-ethoxyphenyl)acetic acid has a molecular weight of 180.20 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)acetic acid is sourced from PubChem (CID 4315987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).