2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid

C13H18O6 — CID 117428822

IUPAC2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid
SMILESCOc1cc(C(O)C(=O)O)c(OC)cc1OC(C)C
InChIInChI=1S/C13H18O6/c1-7(2)19-11-6-9(17-3)8(5-10(11)18-4)12(14)13(15)16/h5-7,12,14H,1-4H3,(H,15,16)
InChIKeySKRQPHMXWLFHCS-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.61
Rot. Bonds6

About 2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid

2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid (PubChem CID 117428822) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid
PubChem CID117428822
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Name2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid
SMILESCOc1cc(C(O)C(=O)O)c(OC)cc1OC(C)C
InChIInChI=1S/C13H18O6/c1-7(2)19-11-6-9(17-3)8(5-10(11)18-4)12(14)13(15)16/h5-7,12,14H,1-4H3,(H,15,16)
InChIKeySKRQPHMXWLFHCS-UHFFFAOYSA-N
XLogP1.61
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117398867
2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid
CID 117393928
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117409616
2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
CID 23558595
(1R)-1-hydroxy-1-(2,4,5-trimethoxyphenyl)propan-2-one
CID 46848158
methyl 2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetate
CID 117433363
4-hydroxy-2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)butanoic acid
CID 79414175
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-[2-(fluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117361958
(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
CID 163198569
2-methoxy-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 116769401

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid (CID 117428822) is 2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid is COc1cc(C(O)C(=O)O)c(OC)cc1OC(C)C.
What is the InChIKey of 2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid?
The InChIKey is SKRQPHMXWLFHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O6/c1-7(2)19-11-6-9(17-3)8(5-10(11)18-4)12(14)13(15)16/h5-7,12,14H,1-4H3,(H,15,16).
What are the key properties of 2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid?
2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid has a molecular weight of 270.28 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117428822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).