(2-oxochromen-4-yl) 4-phenylmethoxybenzoate

C23H16O5 — CID 3794106

IUPAC(2-oxochromen-4-yl) 4-phenylmethoxybenzoate
SMILESO=C(Oc1cc(=O)oc2ccccc12)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H16O5/c24-22-14-21(19-8-4-5-9-20(19)27-22)28-23(25)17-10-12-18(13-11-17)26-15-16-6-2-1-3-7-16/h1-14H,15H2
InChIKeyUXRQHKXAYFHZRN-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.59
Rot. Bonds5

About (2-oxochromen-4-yl) 4-phenylmethoxybenzoate

(2-oxochromen-4-yl) 4-phenylmethoxybenzoate (PubChem CID 3794106) has the molecular formula C23H16O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is (2-oxochromen-4-yl) 4-phenylmethoxybenzoate.

Molecular Properties

Compound Name(2-oxochromen-4-yl) 4-phenylmethoxybenzoate
PubChem CID3794106
Molecular FormulaC23H16O5
Molecular Weight372.38 g/mol
Exact Mass372.10
IUPAC Name(2-oxochromen-4-yl) 4-phenylmethoxybenzoate
SMILESO=C(Oc1cc(=O)oc2ccccc12)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H16O5/c24-22-14-21(19-8-4-5-9-20(19)27-22)28-23(25)17-10-12-18(13-11-17)26-15-16-6-2-1-3-7-16/h1-14H,15H2
InChIKeyUXRQHKXAYFHZRN-UHFFFAOYSA-N
XLogP4.59
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-oxochromen-4-yl) 4-propan-2-yloxybenzoate
CID 888914
[4-methyl-2-(4-phenylmethoxybenzoyl)oxyphenyl] 4-phenylmethoxybenzoate
CID 58741237
(2-oxochromen-4-yl) 2-bromoacetate
CID 71403305
(2-oxochromen-4-yl) 2,2-dichloroacetate
CID 119090067
(4-bromo-2-fluorophenyl) 4-phenylmethoxybenzoate
CID 20586871
4-[(2-oxo-4-phenylchromen-7-yl)oxymethyl]benzoic acid
CID 989087
4-phenylmethoxybenzoic acid
CID 68896574
phenol;4-(phenoxymethyl)chromen-2-one
CID 158794663
(2-acetyl-5-phenylmethoxyphenyl) benzoate
CID 4189871
(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 4-phenylmethoxybenzoate
CID 110494815
[2-oxo-2-(2-phenylethylamino)ethyl] 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoate
CID 2095409
4-methyl-7-phenylmethoxychromen-2-one
CID 728520

Frequently Asked Questions

What is the IUPAC name of (2-oxochromen-4-yl) 4-phenylmethoxybenzoate?
The IUPAC name of (2-oxochromen-4-yl) 4-phenylmethoxybenzoate (CID 3794106) is (2-oxochromen-4-yl) 4-phenylmethoxybenzoate.
What is the SMILES notation for (2-oxochromen-4-yl) 4-phenylmethoxybenzoate?
The canonical SMILES for (2-oxochromen-4-yl) 4-phenylmethoxybenzoate is O=C(Oc1cc(=O)oc2ccccc12)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2-oxochromen-4-yl) 4-phenylmethoxybenzoate?
The InChIKey is UXRQHKXAYFHZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O5/c24-22-14-21(19-8-4-5-9-20(19)27-22)28-23(25)17-10-12-18(13-11-17)26-15-16-6-2-1-3-7-16/h1-14H,15H2.
What are the key properties of (2-oxochromen-4-yl) 4-phenylmethoxybenzoate?
(2-oxochromen-4-yl) 4-phenylmethoxybenzoate has a molecular weight of 372.38 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxochromen-4-yl) 4-phenylmethoxybenzoate is sourced from PubChem (CID 3794106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).