2-[4-(2-hydroxyethyl)phenoxy]-4-methylbenzoic acid

C16H16O4 — CID 107708690

IUPAC2-[4-(2-hydroxyethyl)phenoxy]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(Oc2ccc(CCO)cc2)c1
InChIInChI=1S/C16H16O4/c1-11-2-7-14(16(18)19)15(10-11)20-13-5-3-12(4-6-13)8-9-17/h2-7,10,17H,8-9H2,1H3,(H,18,19)
InChIKeyUHGCZWQCASEMED-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.02
Rot. Bonds5

About 2-[4-(2-hydroxyethyl)phenoxy]-4-methylbenzoic acid

2-[4-(2-hydroxyethyl)phenoxy]-4-methylbenzoic acid (PubChem CID 107708690) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)phenoxy]-4-methylbenzoic acid.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)phenoxy]-4-methylbenzoic acid
PubChem CID107708690
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2-[4-(2-hydroxyethyl)phenoxy]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(Oc2ccc(CCO)cc2)c1
InChIInChI=1S/C16H16O4/c1-11-2-7-14(16(18)19)15(10-11)20-13-5-3-12(4-6-13)8-9-17/h2-7,10,17H,8-9H2,1H3,(H,18,19)
InChIKeyUHGCZWQCASEMED-UHFFFAOYSA-N
XLogP3.02
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-4-methylbenzoic acid
CID 55107428
4-methyl-2-(4-sulfamoylphenoxy)benzoic acid
CID 61395743
4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzoic acid
CID 63513502
2-(3-ethylphenoxy)-4-methylbenzoic acid
CID 63513493
2-[4-(aminomethyl)phenoxy]-4-methylbenzamide
CID 106485646
4-methyl-2-[4-[[3-phenylpropyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]phenoxy]benzoic acid
CID 66775271
2-(3-chlorophenoxy)-4-methylbenzoic acid
CID 55107381
2-(3-ethoxyphenoxy)-4-methylbenzoic acid
CID 62702429
4-chloro-2-[4-(2-hydroxyethyl)phenoxy]benzamide
CID 107709587
3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzoic acid
CID 104629499
2-[4-(2-hydroxyethyl)phenoxy]-4-methylpyrimidine-5-carboxylic acid
CID 107708674
4-methyl-2-[4-[[2-methylbutanoyl-[3-(3-methylphenyl)propyl]amino]methyl]phenoxy]benzoic acid
CID 66774504

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)phenoxy]-4-methylbenzoic acid?
The IUPAC name of 2-[4-(2-hydroxyethyl)phenoxy]-4-methylbenzoic acid (CID 107708690) is 2-[4-(2-hydroxyethyl)phenoxy]-4-methylbenzoic acid.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)phenoxy]-4-methylbenzoic acid?
The canonical SMILES for 2-[4-(2-hydroxyethyl)phenoxy]-4-methylbenzoic acid is Cc1ccc(C(=O)O)c(Oc2ccc(CCO)cc2)c1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)phenoxy]-4-methylbenzoic acid?
The InChIKey is UHGCZWQCASEMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-11-2-7-14(16(18)19)15(10-11)20-13-5-3-12(4-6-13)8-9-17/h2-7,10,17H,8-9H2,1H3,(H,18,19).
What are the key properties of 2-[4-(2-hydroxyethyl)phenoxy]-4-methylbenzoic acid?
2-[4-(2-hydroxyethyl)phenoxy]-4-methylbenzoic acid has a molecular weight of 272.30 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)phenoxy]-4-methylbenzoic acid is sourced from PubChem (CID 107708690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).