3-(3-hydroxy-2-methoxy-5-propan-2-ylphenyl)-3-methylbutanoic acid

C15H22O4 — CID 117419951

IUPAC3-(3-hydroxy-2-methoxy-5-propan-2-ylphenyl)-3-methylbutanoic acid
SMILESCOc1c(O)cc(C(C)C)cc1C(C)(C)CC(=O)O
InChIInChI=1S/C15H22O4/c1-9(2)10-6-11(14(19-5)12(16)7-10)15(3,4)8-13(17)18/h6-7,9,16H,8H2,1-5H3,(H,17,18)
InChIKeyQRLAGHHFBHIILP-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.28
Rot. Bonds5

About 3-(3-hydroxy-2-methoxy-5-propan-2-ylphenyl)-3-methylbutanoic acid

3-(3-hydroxy-2-methoxy-5-propan-2-ylphenyl)-3-methylbutanoic acid (PubChem CID 117419951) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(3-hydroxy-2-methoxy-5-propan-2-ylphenyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(3-hydroxy-2-methoxy-5-propan-2-ylphenyl)-3-methylbutanoic acid
PubChem CID117419951
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name3-(3-hydroxy-2-methoxy-5-propan-2-ylphenyl)-3-methylbutanoic acid
SMILESCOc1c(O)cc(C(C)C)cc1C(C)(C)CC(=O)O
InChIInChI=1S/C15H22O4/c1-9(2)10-6-11(14(19-5)12(16)7-10)15(3,4)8-13(17)18/h6-7,9,16H,8H2,1-5H3,(H,17,18)
InChIKeyQRLAGHHFBHIILP-UHFFFAOYSA-N
XLogP3.28
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-(3,4,5-trifluoro-2-methoxyphenyl)butanoic acid
CID 117409697
3-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)-3-methylbutanoic acid
CID 117433778
3-[5-(1-fluoroethyl)-2-methoxyphenyl]-3-methylbutanoic acid
CID 117389154
3-(5-ethyl-2,3-dimethoxyphenyl)-3-methylbutanoic acid
CID 117419962
3-(2-chloro-3-fluoro-5-hydroxy-6-methoxyphenyl)-3-methylbutanoic acid
CID 117443317
3-(3-ethoxy-5-hydroxy-4-methoxyphenyl)-3-methylbutanoic acid
CID 117424461
3-(3-bromo-5-propan-2-ylphenyl)-3-methylbutanoic acid
CID 117481908
3-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)butanoic acid
CID 84641969
3-(3,5-difluoro-2,6-dimethoxyphenyl)-3-methylbutanoic acid
CID 117437977
3-(2-formyl-5-hydroxy-4-methoxyphenyl)-3-methylbutanoic acid
CID 117383577
3-(3-methoxy-2-propan-2-yloxyphenyl)-3-methylbutanoic acid
CID 117419971
3-(4-methoxy-2-methyl-1H-indol-5-yl)-3-methylbutanoic acid
CID 117407548

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2-methoxy-5-propan-2-ylphenyl)-3-methylbutanoic acid?
The IUPAC name of 3-(3-hydroxy-2-methoxy-5-propan-2-ylphenyl)-3-methylbutanoic acid (CID 117419951) is 3-(3-hydroxy-2-methoxy-5-propan-2-ylphenyl)-3-methylbutanoic acid.
What is the SMILES notation for 3-(3-hydroxy-2-methoxy-5-propan-2-ylphenyl)-3-methylbutanoic acid?
The canonical SMILES for 3-(3-hydroxy-2-methoxy-5-propan-2-ylphenyl)-3-methylbutanoic acid is COc1c(O)cc(C(C)C)cc1C(C)(C)CC(=O)O.
What is the InChIKey of 3-(3-hydroxy-2-methoxy-5-propan-2-ylphenyl)-3-methylbutanoic acid?
The InChIKey is QRLAGHHFBHIILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-9(2)10-6-11(14(19-5)12(16)7-10)15(3,4)8-13(17)18/h6-7,9,16H,8H2,1-5H3,(H,17,18).
What are the key properties of 3-(3-hydroxy-2-methoxy-5-propan-2-ylphenyl)-3-methylbutanoic acid?
3-(3-hydroxy-2-methoxy-5-propan-2-ylphenyl)-3-methylbutanoic acid has a molecular weight of 266.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2-methoxy-5-propan-2-ylphenyl)-3-methylbutanoic acid is sourced from PubChem (CID 117419951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).