2-hydroxybenzoic acid;8-methylnonan-1-ol

C17H28O4 — CID 157224226

IUPAC2-hydroxybenzoic acid;8-methylnonan-1-ol
SMILESCC(C)CCCCCCCO.O=C(O)c1ccccc1O
InChIInChI=1S/C10H22O.C7H6O3/c1-10(2)8-6-4-3-5-7-9-11;8-6-4-2-1-3-5(6)7(9)10/h10-11H,3-9H2,1-2H3;1-4,8H,(H,9,10)
InChIKeyATIVPFZRHXEOAA-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.07
Rot. Bonds8

About 2-hydroxybenzoic acid;8-methylnonan-1-ol

2-hydroxybenzoic acid;8-methylnonan-1-ol (PubChem CID 157224226) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;8-methylnonan-1-ol.

Molecular Properties

Compound Name2-hydroxybenzoic acid;8-methylnonan-1-ol
PubChem CID157224226
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name2-hydroxybenzoic acid;8-methylnonan-1-ol
SMILESCC(C)CCCCCCCO.O=C(O)c1ccccc1O
InChIInChI=1S/C10H22O.C7H6O3/c1-10(2)8-6-4-3-5-7-9-11;8-6-4-2-1-3-5(6)7(9)10/h10-11H,3-9H2,1-2H3;1-4,8H,(H,9,10)
InChIKeyATIVPFZRHXEOAA-UHFFFAOYSA-N
XLogP4.07
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;8-methylnonan-1-ol?
The IUPAC name of 2-hydroxybenzoic acid;8-methylnonan-1-ol (CID 157224226) is 2-hydroxybenzoic acid;8-methylnonan-1-ol.
What is the SMILES notation for 2-hydroxybenzoic acid;8-methylnonan-1-ol?
The canonical SMILES for 2-hydroxybenzoic acid;8-methylnonan-1-ol is CC(C)CCCCCCCO.O=C(O)c1ccccc1O.
What is the InChIKey of 2-hydroxybenzoic acid;8-methylnonan-1-ol?
The InChIKey is ATIVPFZRHXEOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.C7H6O3/c1-10(2)8-6-4-3-5-7-9-11;8-6-4-2-1-3-5(6)7(9)10/h10-11H,3-9H2,1-2H3;1-4,8H,(H,9,10).
What are the key properties of 2-hydroxybenzoic acid;8-methylnonan-1-ol?
2-hydroxybenzoic acid;8-methylnonan-1-ol has a molecular weight of 296.41 g/mol, XLogP of 4.07, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzoic acid;8-methylnonan-1-ol is sourced from PubChem (CID 157224226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).