2-hydroxy-2-(4-hydroxy-2-methyl-3-propan-2-yloxyphenyl)acetic acid

C12H16O5 — CID 139621896

IUPAC2-hydroxy-2-(4-hydroxy-2-methyl-3-propan-2-yloxyphenyl)acetic acid
SMILESCc1c(C(O)C(=O)O)ccc(O)c1OC(C)C
InChIInChI=1S/C12H16O5/c1-6(2)17-11-7(3)8(4-5-9(11)13)10(14)12(15)16/h4-6,10,13-14H,1-3H3,(H,15,16)
InChIKeyVODNLGATUKMJJL-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.61
Rot. Bonds4

About 2-hydroxy-2-(4-hydroxy-2-methyl-3-propan-2-yloxyphenyl)acetic acid

2-hydroxy-2-(4-hydroxy-2-methyl-3-propan-2-yloxyphenyl)acetic acid (PubChem CID 139621896) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-hydroxy-2-(4-hydroxy-2-methyl-3-propan-2-yloxyphenyl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(4-hydroxy-2-methyl-3-propan-2-yloxyphenyl)acetic acid
PubChem CID139621896
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name2-hydroxy-2-(4-hydroxy-2-methyl-3-propan-2-yloxyphenyl)acetic acid
SMILESCc1c(C(O)C(=O)O)ccc(O)c1OC(C)C
InChIInChI=1S/C12H16O5/c1-6(2)17-11-7(3)8(4-5-9(11)13)10(14)12(15)16/h4-6,10,13-14H,1-3H3,(H,15,16)
InChIKeyVODNLGATUKMJJL-UHFFFAOYSA-N
XLogP1.61
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-hydroxyacetic acid
CID 117428843
2-hydroxy-2-(3-methoxy-2-propan-2-yloxyphenyl)acetic acid
CID 117352972
2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131032215
2-[2-(difluoromethoxy)-4-fluoro-3-methylphenyl]-2-hydroxyacetic acid
CID 171026342
2-(2,3-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid
CID 118826485
2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid
CID 117300056
2-hydroxy-2-(2-iodo-4-propanoylphenyl)acetic acid
CID 134657448
2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid
CID 117328303
(2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic acid
CID 125129497
2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid
CID 117428822
2-hydroxy-2-[2-methyl-3,4-bis(trifluoromethyl)phenyl]acetic acid
CID 134623020
2-(4-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117443520

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-hydroxy-2-methyl-3-propan-2-yloxyphenyl)acetic acid?
The IUPAC name of 2-hydroxy-2-(4-hydroxy-2-methyl-3-propan-2-yloxyphenyl)acetic acid (CID 139621896) is 2-hydroxy-2-(4-hydroxy-2-methyl-3-propan-2-yloxyphenyl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(4-hydroxy-2-methyl-3-propan-2-yloxyphenyl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(4-hydroxy-2-methyl-3-propan-2-yloxyphenyl)acetic acid is Cc1c(C(O)C(=O)O)ccc(O)c1OC(C)C.
What is the InChIKey of 2-hydroxy-2-(4-hydroxy-2-methyl-3-propan-2-yloxyphenyl)acetic acid?
The InChIKey is VODNLGATUKMJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-6(2)17-11-7(3)8(4-5-9(11)13)10(14)12(15)16/h4-6,10,13-14H,1-3H3,(H,15,16).
What are the key properties of 2-hydroxy-2-(4-hydroxy-2-methyl-3-propan-2-yloxyphenyl)acetic acid?
2-hydroxy-2-(4-hydroxy-2-methyl-3-propan-2-yloxyphenyl)acetic acid has a molecular weight of 240.25 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-hydroxy-2-methyl-3-propan-2-yloxyphenyl)acetic acid is sourced from PubChem (CID 139621896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).