5-[3-(4-carboxy-4-methylpentyl)-4-hydroxyphenyl]-2,2-dimethylpentanoic acid

Name: 5-[3-(4-carboxy-4-methylpentyl)-4-hydroxyphenyl]-2,2-dimethylpentanoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₃₀O₅ — CID 155596184

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-[3-(4-carboxy-4-methylpentyl)-4-hydroxyphenyl]-2,2-dimethylpentanoic acid

SMILESCC(C)(CCCc1ccc(O)c(CCCC(C)(C)C(=O)O)c1)C(=O)O

InChIInChI=1S/C20H30O5/c1-19(2,17(22)23)11-5-7-14-9-10-16(21)15(13-14)8-6-12-20(3,4)18(24)25/h9-10,13,21H,5-8,11-12H2,1-4H3,(H,22,23)(H,24,25)

InChIKeyPEXYJFYUXOSYCY-UHFFFAOYSA-N

MW350.46 g/mol

LogP4.26

Rot. Bonds10

About 5-[3-(4-carboxy-4-methylpentyl)-4-hydroxyphenyl]-2,2-dimethylpentanoic acid

5-[3-(4-carboxy-4-methylpentyl)-4-hydroxyphenyl]-2,2-dimethylpentanoic acid (PubChem CID 155596184) has the molecular formula C₂₀H₃₀O₅ and a molecular weight of 350.46 g/mol. Its IUPAC name is 5-[3-(4-carboxy-4-methylpentyl)-4-hydroxyphenyl]-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name	5-[3-(4-carboxy-4-methylpentyl)-4-hydroxyphenyl]-2,2-dimethylpentanoic acid
PubChem CID	155596184
Molecular Formula	C₂₀H₃₀O₅
Molecular Weight	350.46 g/mol
Exact Mass	350.21
IUPAC Name	5-[3-(4-carboxy-4-methylpentyl)-4-hydroxyphenyl]-2,2-dimethylpentanoic acid
SMILES	CC(C)(CCCc1ccc(O)c(CCCC(C)(C)C(=O)O)c1)C(=O)O
InChI	InChI=1S/C20H30O5/c1-19(2,17(22)23)11-5-7-14-9-10-16(21)15(13-14)8-6-12-20(3,4)18(24)25/h9-10,13,21H,5-8,11-12H2,1-4H3,(H,22,23)(H,24,25)
InChIKey	PEXYJFYUXOSYCY-UHFFFAOYSA-N
XLogP	4.26
TPSA	94.83 Å²
H-Bond Donors	3
H-Bond Acceptors	3
Rotatable Bonds	10
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.46
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-carboxy-4-methylpentyl)-4-hydroxyphenyl]-2,2-dimethylpentanoic acid?

The IUPAC name of 5-[3-(4-carboxy-4-methylpentyl)-4-hydroxyphenyl]-2,2-dimethylpentanoic acid (CID 155596184) is 5-[3-(4-carboxy-4-methylpentyl)-4-hydroxyphenyl]-2,2-dimethylpentanoic acid.

What is the SMILES notation for 5-[3-(4-carboxy-4-methylpentyl)-4-hydroxyphenyl]-2,2-dimethylpentanoic acid?

The canonical SMILES for 5-[3-(4-carboxy-4-methylpentyl)-4-hydroxyphenyl]-2,2-dimethylpentanoic acid is CC(C)(CCCc1ccc(O)c(CCCC(C)(C)C(=O)O)c1)C(=O)O.

What is the InChIKey of 5-[3-(4-carboxy-4-methylpentyl)-4-hydroxyphenyl]-2,2-dimethylpentanoic acid?

The InChIKey is PEXYJFYUXOSYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O5/c1-19(2,17(22)23)11-5-7-14-9-10-16(21)15(13-14)8-6-12-20(3,4)18(24)25/h9-10,13,21H,5-8,11-12H2,1-4H3,(H,22,23)(H,24,25).

What are the key properties of 5-[3-(4-carboxy-4-methylpentyl)-4-hydroxyphenyl]-2,2-dimethylpentanoic acid?

5-[3-(4-carboxy-4-methylpentyl)-4-hydroxyphenyl]-2,2-dimethylpentanoic acid has a molecular weight of 350.46 g/mol, XLogP of 4.26, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(4-carboxy-4-methylpentyl)-4-hydroxyphenyl]-2,2-dimethylpentanoic acid is sourced from PubChem (CID 155596184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155596184 — identifiers, structure, computed properties (public domain)

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