(7-hydroxy-4-oxo-2-phenylchromen-8-yl) N-methylcarbamate

C17H13NO5 — CID 146347086

IUPAC(7-hydroxy-4-oxo-2-phenylchromen-8-yl) N-methylcarbamate
SMILESCNC(=O)Oc1c(O)ccc2c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C17H13NO5/c1-18-17(21)23-16-12(19)8-7-11-13(20)9-14(22-15(11)16)10-5-3-2-4-6-10/h2-9,19H,1H3,(H,18,21)
InChIKeyFDCPGEIMPHKXFK-UHFFFAOYSA-N
MW311.29 g/mol
LogP2.88
Rot. Bonds2

About (7-hydroxy-4-oxo-2-phenylchromen-8-yl) N-methylcarbamate

(7-hydroxy-4-oxo-2-phenylchromen-8-yl) N-methylcarbamate (PubChem CID 146347086) has the molecular formula C17H13NO5 and a molecular weight of 311.29 g/mol. Its IUPAC name is (7-hydroxy-4-oxo-2-phenylchromen-8-yl) N-methylcarbamate.

Molecular Properties

Compound Name(7-hydroxy-4-oxo-2-phenylchromen-8-yl) N-methylcarbamate
PubChem CID146347086
Molecular FormulaC17H13NO5
Molecular Weight311.29 g/mol
Exact Mass311.08
IUPAC Name(7-hydroxy-4-oxo-2-phenylchromen-8-yl) N-methylcarbamate
SMILESCNC(=O)Oc1c(O)ccc2c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C17H13NO5/c1-18-17(21)23-16-12(19)8-7-11-13(20)9-14(22-15(11)16)10-5-3-2-4-6-10/h2-9,19H,1H3,(H,18,21)
InChIKeyFDCPGEIMPHKXFK-UHFFFAOYSA-N
XLogP2.88
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(7-hydroxy-4-oxo-2-phenylchromen-8-yl) pyridine-4-carboxylate
CID 146347181
7,8-dihydroxy-2-phenylchromen-4-one
CID 1880
bis(dihydroxy(oxo)phosphanium);7,8-dihydroxy-2-phenylchromen-4-one
CID 175725603
(7-ethoxycarbonyloxy-4-oxo-2-phenylchromen-8-yl) ethyl carbonate
CID 74763707
(8-methyl-4-oxo-2-phenylchromen-7-yl) benzoate
CID 71602857
(4-oxo-2-phenylchromen-7-yl) acetate
CID 12553720
7-hydroxy-2-phenylchromen-4-one
CID 5281894
7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one
CID 91431770
7-hydroxy-8-methoxy-2-(1-methylpyrazol-4-yl)chromen-4-one
CID 178046062
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
CID 5281703
2-[8-[1-carboxy-2-(methylamino)ethyl]-4-oxo-2-phenylchromen-7-yl]-3-(methylamino)propanoic acid;dihydrochloride
CID 90117632
7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate
CID 164575986

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-4-oxo-2-phenylchromen-8-yl) N-methylcarbamate?
The IUPAC name of (7-hydroxy-4-oxo-2-phenylchromen-8-yl) N-methylcarbamate (CID 146347086) is (7-hydroxy-4-oxo-2-phenylchromen-8-yl) N-methylcarbamate.
What is the SMILES notation for (7-hydroxy-4-oxo-2-phenylchromen-8-yl) N-methylcarbamate?
The canonical SMILES for (7-hydroxy-4-oxo-2-phenylchromen-8-yl) N-methylcarbamate is CNC(=O)Oc1c(O)ccc2c(=O)cc(-c3ccccc3)oc12.
What is the InChIKey of (7-hydroxy-4-oxo-2-phenylchromen-8-yl) N-methylcarbamate?
The InChIKey is FDCPGEIMPHKXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO5/c1-18-17(21)23-16-12(19)8-7-11-13(20)9-14(22-15(11)16)10-5-3-2-4-6-10/h2-9,19H,1H3,(H,18,21).
What are the key properties of (7-hydroxy-4-oxo-2-phenylchromen-8-yl) N-methylcarbamate?
(7-hydroxy-4-oxo-2-phenylchromen-8-yl) N-methylcarbamate has a molecular weight of 311.29 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-4-oxo-2-phenylchromen-8-yl) N-methylcarbamate is sourced from PubChem (CID 146347086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).