(2-oxo-4-phenylchromen-7-yl) furan-2-carboxylate

C20H12O5 — CID 721251

IUPAC(2-oxo-4-phenylchromen-7-yl) furan-2-carboxylate
SMILESO=C(Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)c1ccco1
InChIInChI=1S/C20H12O5/c21-19-12-16(13-5-2-1-3-6-13)15-9-8-14(11-18(15)25-19)24-20(22)17-7-4-10-23-17/h1-12H
InChIKeyQMQDJJVJCMQHOT-UHFFFAOYSA-N
MW332.31 g/mol
LogP4.27
Rot. Bonds3

About (2-oxo-4-phenylchromen-7-yl) furan-2-carboxylate

(2-oxo-4-phenylchromen-7-yl) furan-2-carboxylate (PubChem CID 721251) has the molecular formula C20H12O5 and a molecular weight of 332.31 g/mol. Its IUPAC name is (2-oxo-4-phenylchromen-7-yl) furan-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-4-phenylchromen-7-yl) furan-2-carboxylate
PubChem CID721251
Molecular FormulaC20H12O5
Molecular Weight332.31 g/mol
Exact Mass332.07
IUPAC Name(2-oxo-4-phenylchromen-7-yl) furan-2-carboxylate
SMILESO=C(Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)c1ccco1
InChIInChI=1S/C20H12O5/c21-19-12-16(13-5-2-1-3-6-13)15-9-8-14(11-18(15)25-19)24-20(22)17-7-4-10-23-17/h1-12H
InChIKeyQMQDJJVJCMQHOT-UHFFFAOYSA-N
XLogP4.27
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Imperatorin
CID 10212
Efloxate
CID 8395
Phenethyl 2-furoate
CID 251531
Pap-1
CID 11302540
Psora-4
CID 6603977
Acetic acid, 2,2'-((4-oxo-2-phenyl-4H-1-benzopyran-5,7-diyl)bis(oxy))bis-, diethyl ester
CID 118907
4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester
CID 95935
Flavodic Acid
CID 71944
[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetic acid
CID 655981
7H-Furo[3,2-g][1]benzopyran-7-one, 3-phenyl-
CID 678842
2-oxo-2H-chromen-7-yl benzoate
CID 703304
7-(Acetyloxy)-3-phenyl-4H-1-benzopyran-4-one
CID 746449

Frequently Asked Questions

What is the IUPAC name of (2-oxo-4-phenylchromen-7-yl) furan-2-carboxylate?
The IUPAC name of (2-oxo-4-phenylchromen-7-yl) furan-2-carboxylate (CID 721251) is (2-oxo-4-phenylchromen-7-yl) furan-2-carboxylate.
What is the SMILES notation for (2-oxo-4-phenylchromen-7-yl) furan-2-carboxylate?
The canonical SMILES for (2-oxo-4-phenylchromen-7-yl) furan-2-carboxylate is O=C(Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)c1ccco1.
What is the InChIKey of (2-oxo-4-phenylchromen-7-yl) furan-2-carboxylate?
The InChIKey is QMQDJJVJCMQHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12O5/c21-19-12-16(13-5-2-1-3-6-13)15-9-8-14(11-18(15)25-19)24-20(22)17-7-4-10-23-17/h1-12H.
What are the key properties of (2-oxo-4-phenylchromen-7-yl) furan-2-carboxylate?
(2-oxo-4-phenylchromen-7-yl) furan-2-carboxylate has a molecular weight of 332.31 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-4-phenylchromen-7-yl) furan-2-carboxylate is sourced from PubChem (CID 721251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).