2-(3-hydroxyphenyl)-2-methylpentanoic acid

C12H16O3 — CID 150101497

IUPAC2-(3-hydroxyphenyl)-2-methylpentanoic acid
SMILESCCCC(C)(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C12H16O3/c1-3-7-12(2,11(14)15)9-5-4-6-10(13)8-9/h4-6,8,13H,3,7H2,1-2H3,(H,14,15)
InChIKeyDVIRFBYCYHEIKN-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.53
Rot. Bonds4

About 2-(3-hydroxyphenyl)-2-methylpentanoic acid

2-(3-hydroxyphenyl)-2-methylpentanoic acid (PubChem CID 150101497) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-2-methylpentanoic acid
PubChem CID150101497
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(3-hydroxyphenyl)-2-methylpentanoic acid
SMILESCCCC(C)(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C12H16O3/c1-3-7-12(2,11(14)15)9-5-4-6-10(13)8-9/h4-6,8,13H,3,7H2,1-2H3,(H,14,15)
InChIKeyDVIRFBYCYHEIKN-UHFFFAOYSA-N
XLogP2.53
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(3-hydroxyphenyl)butanoic acid
CID 21079809
ethyl 2-(3-hydroxyphenyl)-2-methylbutanoate
CID 19091445
calcium;hydride;2-methyl-2-phenylhexanoic acid
CID 175225013
4-hydroxy-4-(3-hydroxyphenyl)pentanoic acid
CID 66323839
(3S)-3-methyl-3-phenylhexan-2-one
CID 54421490
3-(2-hydroxyhexan-2-yl)phenol
CID 21280529
2-methyl-2-phenyldecanoic acid
CID 154177551
2-methyl-2-phenylnonadecanoic acid
CID 140988291
2-[formyl(propyl)amino]-2-(3-hydroxyphenyl)propanoic acid
CID 55232605
3-[(2S)-1-(dimethylamino)-2-methylpentan-2-yl]phenol
CID 144847986
2-ethyl-3-hydroxy-3-(3-hydroxyphenyl)butanoic acid
CID 62399034
3-hydroxy-3-(3-hydroxyphenyl)-2-propan-2-ylbutanoic acid
CID 62398430

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-2-methylpentanoic acid?
The IUPAC name of 2-(3-hydroxyphenyl)-2-methylpentanoic acid (CID 150101497) is 2-(3-hydroxyphenyl)-2-methylpentanoic acid.
What is the SMILES notation for 2-(3-hydroxyphenyl)-2-methylpentanoic acid?
The canonical SMILES for 2-(3-hydroxyphenyl)-2-methylpentanoic acid is CCCC(C)(C(=O)O)c1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-2-methylpentanoic acid?
The InChIKey is DVIRFBYCYHEIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-7-12(2,11(14)15)9-5-4-6-10(13)8-9/h4-6,8,13H,3,7H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-hydroxyphenyl)-2-methylpentanoic acid?
2-(3-hydroxyphenyl)-2-methylpentanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-2-methylpentanoic acid is sourced from PubChem (CID 150101497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).