2-hydroxybenzoic acid;3,3,4-trimethylcyclohexan-1-ol

C16H24O4 — CID 175178383

IUPAC2-hydroxybenzoic acid;3,3,4-trimethylcyclohexan-1-ol
SMILESCC1CCC(O)CC1(C)C.O=C(O)c1ccccc1O
InChIInChI=1S/C9H18O.C7H6O3/c1-7-4-5-8(10)6-9(7,2)3;8-6-4-2-1-3-5(6)7(9)10/h7-8,10H,4-6H2,1-3H3;1-4,8H,(H,9,10)
InChIKeyDIALSQIUMDONEU-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.28
Rot. Bonds1

About 2-hydroxybenzoic acid;3,3,4-trimethylcyclohexan-1-ol

2-hydroxybenzoic acid;3,3,4-trimethylcyclohexan-1-ol (PubChem CID 175178383) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;3,3,4-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-hydroxybenzoic acid;3,3,4-trimethylcyclohexan-1-ol
PubChem CID175178383
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name2-hydroxybenzoic acid;3,3,4-trimethylcyclohexan-1-ol
SMILESCC1CCC(O)CC1(C)C.O=C(O)c1ccccc1O
InChIInChI=1S/C9H18O.C7H6O3/c1-7-4-5-8(10)6-9(7,2)3;8-6-4-2-1-3-5(6)7(9)10/h7-8,10H,4-6H2,1-3H3;1-4,8H,(H,9,10)
InChIKeyDIALSQIUMDONEU-UHFFFAOYSA-N
XLogP3.28
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;3,3,4-trimethylcyclohexan-1-ol?
The IUPAC name of 2-hydroxybenzoic acid;3,3,4-trimethylcyclohexan-1-ol (CID 175178383) is 2-hydroxybenzoic acid;3,3,4-trimethylcyclohexan-1-ol.
What is the SMILES notation for 2-hydroxybenzoic acid;3,3,4-trimethylcyclohexan-1-ol?
The canonical SMILES for 2-hydroxybenzoic acid;3,3,4-trimethylcyclohexan-1-ol is CC1CCC(O)CC1(C)C.O=C(O)c1ccccc1O.
What is the InChIKey of 2-hydroxybenzoic acid;3,3,4-trimethylcyclohexan-1-ol?
The InChIKey is DIALSQIUMDONEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.C7H6O3/c1-7-4-5-8(10)6-9(7,2)3;8-6-4-2-1-3-5(6)7(9)10/h7-8,10H,4-6H2,1-3H3;1-4,8H,(H,9,10).
What are the key properties of 2-hydroxybenzoic acid;3,3,4-trimethylcyclohexan-1-ol?
2-hydroxybenzoic acid;3,3,4-trimethylcyclohexan-1-ol has a molecular weight of 280.36 g/mol, XLogP of 3.28, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzoic acid;3,3,4-trimethylcyclohexan-1-ol is sourced from PubChem (CID 175178383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).