2-hydroxy-3-methoxy-4-propan-2-ylbenzoic acid

C11H14O4 — CID 170123205

IUPAC2-hydroxy-3-methoxy-4-propan-2-ylbenzoic acid
SMILESCOc1c(C(C)C)ccc(C(=O)O)c1O
InChIInChI=1S/C11H14O4/c1-6(2)7-4-5-8(11(13)14)9(12)10(7)15-3/h4-6,12H,1-3H3,(H,13,14)
InChIKeyDRWPMWAMFTUTHV-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.22
Rot. Bonds3

About 2-hydroxy-3-methoxy-4-propan-2-ylbenzoic acid

2-hydroxy-3-methoxy-4-propan-2-ylbenzoic acid (PubChem CID 170123205) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-4-propan-2-ylbenzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-4-propan-2-ylbenzoic acid
PubChem CID170123205
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-hydroxy-3-methoxy-4-propan-2-ylbenzoic acid
SMILESCOc1c(C(C)C)ccc(C(=O)O)c1O
InChIInChI=1S/C11H14O4/c1-6(2)7-4-5-8(11(13)14)9(12)10(7)15-3/h4-6,12H,1-3H3,(H,13,14)
InChIKeyDRWPMWAMFTUTHV-UHFFFAOYSA-N
XLogP2.22
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-4-propan-2-ylbenzoic acid?
The IUPAC name of 2-hydroxy-3-methoxy-4-propan-2-ylbenzoic acid (CID 170123205) is 2-hydroxy-3-methoxy-4-propan-2-ylbenzoic acid.
What is the SMILES notation for 2-hydroxy-3-methoxy-4-propan-2-ylbenzoic acid?
The canonical SMILES for 2-hydroxy-3-methoxy-4-propan-2-ylbenzoic acid is COc1c(C(C)C)ccc(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-4-propan-2-ylbenzoic acid?
The InChIKey is DRWPMWAMFTUTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-6(2)7-4-5-8(11(13)14)9(12)10(7)15-3/h4-6,12H,1-3H3,(H,13,14).
What are the key properties of 2-hydroxy-3-methoxy-4-propan-2-ylbenzoic acid?
2-hydroxy-3-methoxy-4-propan-2-ylbenzoic acid has a molecular weight of 210.23 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-4-propan-2-ylbenzoic acid is sourced from PubChem (CID 170123205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).