(2,4,4-trimethylcyclopentyl) 2-hydroxybenzoate

C15H20O3 — CID 23113033

IUPAC(2,4,4-trimethylcyclopentyl) 2-hydroxybenzoate
SMILESCC1CC(C)(C)CC1OC(=O)c1ccccc1O
InChIInChI=1S/C15H20O3/c1-10-8-15(2,3)9-13(10)18-14(17)11-6-4-5-7-12(11)16/h4-7,10,13,16H,8-9H2,1-3H3
InChIKeyGXXLZYGQVUFQBS-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.37
Rot. Bonds2

About (2,4,4-trimethylcyclopentyl) 2-hydroxybenzoate

(2,4,4-trimethylcyclopentyl) 2-hydroxybenzoate (PubChem CID 23113033) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (2,4,4-trimethylcyclopentyl) 2-hydroxybenzoate.

Molecular Properties

Compound Name(2,4,4-trimethylcyclopentyl) 2-hydroxybenzoate
PubChem CID23113033
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(2,4,4-trimethylcyclopentyl) 2-hydroxybenzoate
SMILESCC1CC(C)(C)CC1OC(=O)c1ccccc1O
InChIInChI=1S/C15H20O3/c1-10-8-15(2,3)9-13(10)18-14(17)11-6-4-5-7-12(11)16/h4-7,10,13,16H,8-9H2,1-3H3
InChIKeyGXXLZYGQVUFQBS-UHFFFAOYSA-N
XLogP3.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-O-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-yl) 2-O-[(6S)-4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-yl] benzene-1,2-dicarboxylate
CID 143295919
2-[bis(2-hydroxyethyl)amino]ethanol;(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate
CID 56948394
(3-methyl-3-propan-2-ylcyclohexyl) 2-hydroxybenzoate
CID 54028398
[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] 2-hydroxybenzoate
CID 10779379
bis(1,3-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate
CID 139789331
[(2S)-2-aminopropanoyl] 2-hydroxybenzoate
CID 151967003
2-hydroxybenzoic acid;methane;3,5,5-trimethylcyclohex-2-en-1-ol;(3,5,5-trimethylcyclohex-2-en-1-yl) 2-hydroxybenzoate
CID 158557533
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate
CID 66873710
CID 71111006
CID 71111006
tert-butyl 2-hydroxybenzoate;cobalt
CID 70348779
[(3R,3aR,6S,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-hydroxybenzoate
CID 25179315
[(2S,3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl] 2-hydroxybenzoate
CID 53496773

Frequently Asked Questions

What is the IUPAC name of (2,4,4-trimethylcyclopentyl) 2-hydroxybenzoate?
The IUPAC name of (2,4,4-trimethylcyclopentyl) 2-hydroxybenzoate (CID 23113033) is (2,4,4-trimethylcyclopentyl) 2-hydroxybenzoate.
What is the SMILES notation for (2,4,4-trimethylcyclopentyl) 2-hydroxybenzoate?
The canonical SMILES for (2,4,4-trimethylcyclopentyl) 2-hydroxybenzoate is CC1CC(C)(C)CC1OC(=O)c1ccccc1O.
What is the InChIKey of (2,4,4-trimethylcyclopentyl) 2-hydroxybenzoate?
The InChIKey is GXXLZYGQVUFQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-10-8-15(2,3)9-13(10)18-14(17)11-6-4-5-7-12(11)16/h4-7,10,13,16H,8-9H2,1-3H3.
What are the key properties of (2,4,4-trimethylcyclopentyl) 2-hydroxybenzoate?
(2,4,4-trimethylcyclopentyl) 2-hydroxybenzoate has a molecular weight of 248.32 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,4-trimethylcyclopentyl) 2-hydroxybenzoate is sourced from PubChem (CID 23113033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).