[[2-(diethylamino)phenyl]-hydroxy-phenylmethyl] benzoate

C24H25NO3 — CID 151936887

IUPAC[[2-(diethylamino)phenyl]-hydroxy-phenylmethyl] benzoate
SMILESCCN(CC)c1ccccc1C(O)(OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO3/c1-3-25(4-2)22-18-12-11-17-21(22)24(27,20-15-9-6-10-16-20)28-23(26)19-13-7-5-8-14-19/h5-18,27H,3-4H2,1-2H3
InChIKeySZZFTGJAJXFVAG-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.58
Rot. Bonds7

About [[2-(diethylamino)phenyl]-hydroxy-phenylmethyl] benzoate

[[2-(diethylamino)phenyl]-hydroxy-phenylmethyl] benzoate (PubChem CID 151936887) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is [[2-(diethylamino)phenyl]-hydroxy-phenylmethyl] benzoate.

Molecular Properties

Compound Name[[2-(diethylamino)phenyl]-hydroxy-phenylmethyl] benzoate
PubChem CID151936887
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name[[2-(diethylamino)phenyl]-hydroxy-phenylmethyl] benzoate
SMILESCCN(CC)c1ccccc1C(O)(OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO3/c1-3-25(4-2)22-18-12-11-17-21(22)24(27,20-15-9-6-10-16-20)28-23(26)19-13-7-5-8-14-19/h5-18,27H,3-4H2,1-2H3
InChIKeySZZFTGJAJXFVAG-UHFFFAOYSA-N
XLogP4.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(2-ethylphenyl)-dihydroxymethyl] benzoate
CID 54176841
[2,2-bis[2-(diethylamino)phenyl]-2-hydroxyethyl] 2-methylprop-2-enoate
CID 139721076
1,5-bis[2-(diethylamino)phenyl]-1,5-diphenylpenta-2,4-dien-1-ol
CID 139611292
benzoyl benzoate;N,N-dimethylethanamine
CID 174532013
(3-oxo-2-phenylbutan-2-yl) benzoate
CID 102265108
[[(5R)-5-[benzoyloxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl] benzoate
CID 134971897
[4-(diethylamino)phenyl] benzoate
CID 67071301
CID 162139404
CID 162139404
2-methylpentan-2-yl benzoate;hydrate
CID 162320835
[5-(diethylamino)-2-methylphenyl] benzoate
CID 129225541
(2-benzoyloxy-2-methylpropyl) benzoate;2-methylpropane-1,2-diol
CID 157479267
[7-(4-methoxyphenyl)-3-phenylhepta-1,6-diyn-3-yl] benzoate
CID 135073646

Frequently Asked Questions

What is the IUPAC name of [[2-(diethylamino)phenyl]-hydroxy-phenylmethyl] benzoate?
The IUPAC name of [[2-(diethylamino)phenyl]-hydroxy-phenylmethyl] benzoate (CID 151936887) is [[2-(diethylamino)phenyl]-hydroxy-phenylmethyl] benzoate.
What is the SMILES notation for [[2-(diethylamino)phenyl]-hydroxy-phenylmethyl] benzoate?
The canonical SMILES for [[2-(diethylamino)phenyl]-hydroxy-phenylmethyl] benzoate is CCN(CC)c1ccccc1C(O)(OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [[2-(diethylamino)phenyl]-hydroxy-phenylmethyl] benzoate?
The InChIKey is SZZFTGJAJXFVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-3-25(4-2)22-18-12-11-17-21(22)24(27,20-15-9-6-10-16-20)28-23(26)19-13-7-5-8-14-19/h5-18,27H,3-4H2,1-2H3.
What are the key properties of [[2-(diethylamino)phenyl]-hydroxy-phenylmethyl] benzoate?
[[2-(diethylamino)phenyl]-hydroxy-phenylmethyl] benzoate has a molecular weight of 375.47 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(diethylamino)phenyl]-hydroxy-phenylmethyl] benzoate is sourced from PubChem (CID 151936887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).