(2-propan-2-ylphenyl) 2-hydroxybenzoate

C16H16O3 — CID 22898697

IUPAC(2-propan-2-ylphenyl) 2-hydroxybenzoate
SMILESCC(C)c1ccccc1OC(=O)c1ccccc1O
InChIInChI=1S/C16H16O3/c1-11(2)12-7-4-6-10-15(12)19-16(18)13-8-3-5-9-14(13)17/h3-11,17H,1-2H3
InChIKeyCAZLXOLEEHRDPO-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.73
Rot. Bonds3

About (2-propan-2-ylphenyl) 2-hydroxybenzoate

(2-propan-2-ylphenyl) 2-hydroxybenzoate (PubChem CID 22898697) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2-propan-2-ylphenyl) 2-hydroxybenzoate.

Molecular Properties

Compound Name(2-propan-2-ylphenyl) 2-hydroxybenzoate
PubChem CID22898697
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name(2-propan-2-ylphenyl) 2-hydroxybenzoate
SMILESCC(C)c1ccccc1OC(=O)c1ccccc1O
InChIInChI=1S/C16H16O3/c1-11(2)12-7-4-6-10-15(12)19-16(18)13-8-3-5-9-14(13)17/h3-11,17H,1-2H3
InChIKeyCAZLXOLEEHRDPO-UHFFFAOYSA-N
XLogP3.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-methyl-2-propan-2-ylphenyl) 2-hydroxybenzoate;phenol;2-phenylphenol
CID 157139383
sodium 2-(2-hydroxybenzoyl)oxybenzoate
CID 23662396
3-(2-hydroxybenzoyl)oxy-2-methylbenzoic acid
CID 129189954
naphthalen-1-yl 2-hydroxybenzoate
CID 504536
(4-bromo-2-propan-2-ylphenyl) 2-bromobenzoate
CID 17188126
1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
CID 67945637
1-propan-2-yl-2-prop-1-en-2-yloxybenzene
CID 22935766
(2,4-dihydroxyphenyl) 2-hydroxybenzoate
CID 69048208
(2-propan-2-ylphenyl) 3-(4-methylphenyl)propanoate
CID 19220587
ethane;(2-ethoxyphenyl) 2-butan-2-ylbenzoate
CID 118039954
N,N-diethylethanamine;(2-methoxycarbonylphenyl) 2-hydroxybenzoate
CID 69490317
[2-(2,4,4-trimethylpentan-2-yl)phenyl] 2-hydroxybenzoate
CID 18984257

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylphenyl) 2-hydroxybenzoate?
The IUPAC name of (2-propan-2-ylphenyl) 2-hydroxybenzoate (CID 22898697) is (2-propan-2-ylphenyl) 2-hydroxybenzoate.
What is the SMILES notation for (2-propan-2-ylphenyl) 2-hydroxybenzoate?
The canonical SMILES for (2-propan-2-ylphenyl) 2-hydroxybenzoate is CC(C)c1ccccc1OC(=O)c1ccccc1O.
What is the InChIKey of (2-propan-2-ylphenyl) 2-hydroxybenzoate?
The InChIKey is CAZLXOLEEHRDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11(2)12-7-4-6-10-15(12)19-16(18)13-8-3-5-9-14(13)17/h3-11,17H,1-2H3.
What are the key properties of (2-propan-2-ylphenyl) 2-hydroxybenzoate?
(2-propan-2-ylphenyl) 2-hydroxybenzoate has a molecular weight of 256.30 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylphenyl) 2-hydroxybenzoate is sourced from PubChem (CID 22898697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).