2-(4-ethylphenyl)-2-(3-hydroxypropoxy)acetic acid

C13H18O4 — CID 83223895

IUPAC2-(4-ethylphenyl)-2-(3-hydroxypropoxy)acetic acid
SMILESCCc1ccc(C(OCCCO)C(=O)O)cc1
InChIInChI=1S/C13H18O4/c1-2-10-4-6-11(7-5-10)12(13(15)16)17-9-3-8-14/h4-7,12,14H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyFZMNLTTUACYXAX-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.77
Rot. Bonds7

About 2-(4-ethylphenyl)-2-(3-hydroxypropoxy)acetic acid

2-(4-ethylphenyl)-2-(3-hydroxypropoxy)acetic acid (PubChem CID 83223895) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-(3-hydroxypropoxy)acetic acid.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-(3-hydroxypropoxy)acetic acid
PubChem CID83223895
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-(4-ethylphenyl)-2-(3-hydroxypropoxy)acetic acid
SMILESCCc1ccc(C(OCCCO)C(=O)O)cc1
InChIInChI=1S/C13H18O4/c1-2-10-4-6-11(7-5-10)12(13(15)16)17-9-3-8-14/h4-7,12,14H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyFZMNLTTUACYXAX-UHFFFAOYSA-N
XLogP1.77
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxypropoxy)-2-(4-phenylphenyl)acetic acid
CID 103378054
2-(2-hydroxyethoxy)-2-(4-methylphenyl)acetic acid
CID 83224145
2-(3-fluoro-4-methoxyphenyl)-2-(3-hydroxypropoxy)acetic acid
CID 83224437
2-(3,5-dichlorophenyl)-2-(3-hydroxypropoxy)acetic acid
CID 83224723
2-[4-(2-methylpropyl)phenyl]-2-propoxyacetic acid
CID 83224518
2-(3-chloro-4-fluorophenyl)-2-(3-hydroxypropoxy)acetic acid
CID 83224161
2-(4-methoxyphenyl)-2-propoxyacetic acid
CID 83223962
2-(3-hydroxypropoxy)-2-(2,4,5-trimethylphenyl)acetic acid
CID 114078427
2-ethoxy-2-(4-hydroxyphenyl)acetic acid
CID 70349017
2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)acetic acid
CID 84748015
bis[4-(4-ethylphenyl)-4-phenylbutyl] carbonate
CID 67183181
bis[5-(4-ethylphenyl)-5-phenylpentyl] carbonate
CID 67180932

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-(3-hydroxypropoxy)acetic acid?
The IUPAC name of 2-(4-ethylphenyl)-2-(3-hydroxypropoxy)acetic acid (CID 83223895) is 2-(4-ethylphenyl)-2-(3-hydroxypropoxy)acetic acid.
What is the SMILES notation for 2-(4-ethylphenyl)-2-(3-hydroxypropoxy)acetic acid?
The canonical SMILES for 2-(4-ethylphenyl)-2-(3-hydroxypropoxy)acetic acid is CCc1ccc(C(OCCCO)C(=O)O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-(3-hydroxypropoxy)acetic acid?
The InChIKey is FZMNLTTUACYXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-2-10-4-6-11(7-5-10)12(13(15)16)17-9-3-8-14/h4-7,12,14H,2-3,8-9H2,1H3,(H,15,16).
What are the key properties of 2-(4-ethylphenyl)-2-(3-hydroxypropoxy)acetic acid?
2-(4-ethylphenyl)-2-(3-hydroxypropoxy)acetic acid has a molecular weight of 238.28 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-(3-hydroxypropoxy)acetic acid is sourced from PubChem (CID 83223895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).