(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate

C16H22O3 — CID 8362

💊View drug profile → homosalate
IUPAC(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate
SMILESCC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1
InChIInChI=1S/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3
InChIKeyWSSJONWNBBTCMG-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.76
Rot. Bonds2

About (3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate

(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate (PubChem CID 8362) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate.

Molecular Properties

Compound Name(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate
PubChem CID8362
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate
SMILESCC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1
InChIInChI=1S/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3
InChIKeyWSSJONWNBBTCMG-UHFFFAOYSA-N
XLogP3.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl Salicylate
CID 4133
Benzyl Salicylate
CID 8363
2-Ethylhexyl salicylate
CID 8364
Ethyl Salicylate
CID 8365
Menthyl Salicylate
CID 20055232
p-tert-Butylphenyl salicylate
CID 66597
Butyl salicylate
CID 16330
Isoamyl salicylate
CID 6874
Phenethyl salicylate
CID 62332
Hexyl Salicylate
CID 22629
Isobutyl salicylate
CID 6873
Amyl Salicylate
CID 16299

Frequently Asked Questions

What is the IUPAC name of (3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate?
The IUPAC name of (3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate (CID 8362) is (3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate.
What is the SMILES notation for (3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate?
The canonical SMILES for (3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate is CC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1.
What is the InChIKey of (3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate?
The InChIKey is WSSJONWNBBTCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3.
What are the key properties of (3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate?
(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate has a molecular weight of 262.35 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate is sourced from PubChem (CID 8362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).