[2-(2-ethylhexoxycarbonyl)phenyl] 2-hydroxybenzoate

C22H26O5 — CID 146469755

IUPAC[2-(2-ethylhexoxycarbonyl)phenyl] 2-hydroxybenzoate
SMILESCCCCC(CC)COC(=O)c1ccccc1OC(=O)c1ccccc1O
InChIInChI=1S/C22H26O5/c1-3-5-10-16(4-2)15-26-21(24)18-12-7-9-14-20(18)27-22(25)17-11-6-8-13-19(17)23/h6-9,11-14,16,23H,3-5,10,15H2,1-2H3
InChIKeyORTWCXLYTIXVCY-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.98
Rot. Bonds9

About [2-(2-ethylhexoxycarbonyl)phenyl] 2-hydroxybenzoate

[2-(2-ethylhexoxycarbonyl)phenyl] 2-hydroxybenzoate (PubChem CID 146469755) has the molecular formula C22H26O5 and a molecular weight of 370.45 g/mol. Its IUPAC name is [2-(2-ethylhexoxycarbonyl)phenyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(2-ethylhexoxycarbonyl)phenyl] 2-hydroxybenzoate
PubChem CID146469755
Molecular FormulaC22H26O5
Molecular Weight370.45 g/mol
Exact Mass370.18
IUPAC Name[2-(2-ethylhexoxycarbonyl)phenyl] 2-hydroxybenzoate
SMILESCCCCC(CC)COC(=O)c1ccccc1OC(=O)c1ccccc1O
InChIInChI=1S/C22H26O5/c1-3-5-10-16(4-2)15-26-21(24)18-12-7-9-14-20(18)27-22(25)17-11-6-8-13-19(17)23/h6-9,11-14,16,23H,3-5,10,15H2,1-2H3
InChIKeyORTWCXLYTIXVCY-UHFFFAOYSA-N
XLogP4.98
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethylhexyl 2,3-dihydroxybenzoate
CID 175413950
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane
CID 67644728
(2-butoxycarbonylphenyl) 2-hydroxybenzoate
CID 59687397
ethanol;2-(2-ethylhexoxycarbonyl)benzoic acid
CID 175410629
bis(2-ethyldecyl) benzene-1,2-dicarboxylate
CID 18462811
1-O-(2-ethyldecyl) 2-O-(2-ethylundecyl) benzene-1,2-dicarboxylate
CID 44589518
2-ethylhexyl 2-(2-methylprop-2-enoxy)benzoate
CID 146237456
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene
CID 67686577
1-O-decyl 2-O-(2-ethylhexyl) benzene-1,2-dicarboxylate
CID 3020636
2-ethylhexyl 2-(diethylamino)benzoate
CID 68841644
4-O,5-O-diethyl 1-O,2-O-bis(2-ethylhexyl) benzene-1,2,4,5-tetracarboxylate
CID 50905906
2-ethylhexyl 2-[4-(4-phenylphenyl)benzoyl]benzoate
CID 118478540

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylhexoxycarbonyl)phenyl] 2-hydroxybenzoate?
The IUPAC name of [2-(2-ethylhexoxycarbonyl)phenyl] 2-hydroxybenzoate (CID 146469755) is [2-(2-ethylhexoxycarbonyl)phenyl] 2-hydroxybenzoate.
What is the SMILES notation for [2-(2-ethylhexoxycarbonyl)phenyl] 2-hydroxybenzoate?
The canonical SMILES for [2-(2-ethylhexoxycarbonyl)phenyl] 2-hydroxybenzoate is CCCCC(CC)COC(=O)c1ccccc1OC(=O)c1ccccc1O.
What is the InChIKey of [2-(2-ethylhexoxycarbonyl)phenyl] 2-hydroxybenzoate?
The InChIKey is ORTWCXLYTIXVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O5/c1-3-5-10-16(4-2)15-26-21(24)18-12-7-9-14-20(18)27-22(25)17-11-6-8-13-19(17)23/h6-9,11-14,16,23H,3-5,10,15H2,1-2H3.
What are the key properties of [2-(2-ethylhexoxycarbonyl)phenyl] 2-hydroxybenzoate?
[2-(2-ethylhexoxycarbonyl)phenyl] 2-hydroxybenzoate has a molecular weight of 370.45 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylhexoxycarbonyl)phenyl] 2-hydroxybenzoate is sourced from PubChem (CID 146469755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).