2-hydroxy-5-(10-methylundecyl)benzoic acid

C19H30O3 — CID 22256247

IUPAC2-hydroxy-5-(10-methylundecyl)benzoic acid
SMILESCC(C)CCCCCCCCCc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C19H30O3/c1-15(2)10-8-6-4-3-5-7-9-11-16-12-13-18(20)17(14-16)19(21)22/h12-15,20H,3-11H2,1-2H3,(H,21,22)
InChIKeyMENFIJSWYWAXEO-UHFFFAOYSA-N
MW306.45 g/mol
LogP5.41
Rot. Bonds11

About 2-hydroxy-5-(10-methylundecyl)benzoic acid

2-hydroxy-5-(10-methylundecyl)benzoic acid (PubChem CID 22256247) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-hydroxy-5-(10-methylundecyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(10-methylundecyl)benzoic acid
PubChem CID22256247
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name2-hydroxy-5-(10-methylundecyl)benzoic acid
SMILESCC(C)CCCCCCCCCc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C19H30O3/c1-15(2)10-8-6-4-3-5-7-9-11-16-12-13-18(20)17(14-16)19(21)22/h12-15,20H,3-11H2,1-2H3,(H,21,22)
InChIKeyMENFIJSWYWAXEO-UHFFFAOYSA-N
XLogP5.41
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-(6-methylheptyl)phenol
CID 154140199
4-(6-methylheptyl)benzoic acid
CID 70349425
2-hydroxy-5-[(Z)-octadec-9-enyl]benzoic acid
CID 67602117
5-(3-benzylnonyl)-2-hydroxybenzoic acid
CID 67924694
2-hydroxybenzoic acid;8-methylnonan-1-ol
CID 157224226
4-(10-methylundecyl)-2-prop-1-enylphenol
CID 54563182
2-(6-methylheptyl)benzoic acid
CID 23133407
1-(2-hydroxy-5-nonylphenyl)ethanone
CID 10869095
1,4-bis(8-methylnonyl)benzene;phosphorous acid
CID 175244550
4-[3-(4-hydroxy-3-methylphenyl)propyl]phthalic acid
CID 69492073
5-ethyl-2-(8-methylnonoxycarbonyl)benzoic acid
CID 139911690
2-hydroxy-5-(2-oxopropyl)benzoic acid
CID 24721592

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(10-methylundecyl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(10-methylundecyl)benzoic acid (CID 22256247) is 2-hydroxy-5-(10-methylundecyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(10-methylundecyl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(10-methylundecyl)benzoic acid is CC(C)CCCCCCCCCc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-(10-methylundecyl)benzoic acid?
The InChIKey is MENFIJSWYWAXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3/c1-15(2)10-8-6-4-3-5-7-9-11-16-12-13-18(20)17(14-16)19(21)22/h12-15,20H,3-11H2,1-2H3,(H,21,22).
What are the key properties of 2-hydroxy-5-(10-methylundecyl)benzoic acid?
2-hydroxy-5-(10-methylundecyl)benzoic acid has a molecular weight of 306.45 g/mol, XLogP of 5.41, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(10-methylundecyl)benzoic acid is sourced from PubChem (CID 22256247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).