2-hydroxy-2-(3-methoxy-2-propan-2-yloxyphenyl)acetic acid

C12H16O5 — CID 117352972

IUPAC2-hydroxy-2-(3-methoxy-2-propan-2-yloxyphenyl)acetic acid
SMILESCOc1cccc(C(O)C(=O)O)c1OC(C)C
InChIInChI=1S/C12H16O5/c1-7(2)17-11-8(10(13)12(14)15)5-4-6-9(11)16-3/h4-7,10,13H,1-3H3,(H,14,15)
InChIKeyKXXZCMDAQQYRHI-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.60
Rot. Bonds5

About 2-hydroxy-2-(3-methoxy-2-propan-2-yloxyphenyl)acetic acid

2-hydroxy-2-(3-methoxy-2-propan-2-yloxyphenyl)acetic acid (PubChem CID 117352972) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-hydroxy-2-(3-methoxy-2-propan-2-yloxyphenyl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(3-methoxy-2-propan-2-yloxyphenyl)acetic acid
PubChem CID117352972
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name2-hydroxy-2-(3-methoxy-2-propan-2-yloxyphenyl)acetic acid
SMILESCOc1cccc(C(O)C(=O)O)c1OC(C)C
InChIInChI=1S/C12H16O5/c1-7(2)17-11-8(10(13)12(14)15)5-4-6-9(11)16-3/h4-7,10,13H,1-3H3,(H,14,15)
InChIKeyKXXZCMDAQQYRHI-UHFFFAOYSA-N
XLogP1.60
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-hydroxyacetic acid
CID 117428843
2-[3-(2-bromopropanoyl)-2-methoxyphenyl]-2-hydroxyacetic acid
CID 134657636
2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid
CID 117428822
2-[2-(3-chloro-2-oxopropyl)-3-methoxyphenyl]-2-hydroxyacetic acid
CID 135740943
2-(2,3-dimethoxyphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid
CID 103377839
2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid
CID 117328303
2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid
CID 83224228
1-(3-methoxy-2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylethanol
CID 22401530
3-(3-methoxy-2-propan-2-yloxyphenyl)-3-methylbutanoic acid
CID 117419971
2-acetamido-3-(3-methoxy-2-propan-2-yloxyphenyl)propanoic acid
CID 54846837
2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117331953

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(3-methoxy-2-propan-2-yloxyphenyl)acetic acid?
The IUPAC name of 2-hydroxy-2-(3-methoxy-2-propan-2-yloxyphenyl)acetic acid (CID 117352972) is 2-hydroxy-2-(3-methoxy-2-propan-2-yloxyphenyl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(3-methoxy-2-propan-2-yloxyphenyl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(3-methoxy-2-propan-2-yloxyphenyl)acetic acid is COc1cccc(C(O)C(=O)O)c1OC(C)C.
What is the InChIKey of 2-hydroxy-2-(3-methoxy-2-propan-2-yloxyphenyl)acetic acid?
The InChIKey is KXXZCMDAQQYRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-7(2)17-11-8(10(13)12(14)15)5-4-6-9(11)16-3/h4-7,10,13H,1-3H3,(H,14,15).
What are the key properties of 2-hydroxy-2-(3-methoxy-2-propan-2-yloxyphenyl)acetic acid?
2-hydroxy-2-(3-methoxy-2-propan-2-yloxyphenyl)acetic acid has a molecular weight of 240.25 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(3-methoxy-2-propan-2-yloxyphenyl)acetic acid is sourced from PubChem (CID 117352972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).