(7-hydroxy-8-methyl-2-oxochromen-3-yl) N-benzylcarbamate

C18H15NO5 — CID 87265834

IUPAC(7-hydroxy-8-methyl-2-oxochromen-3-yl) N-benzylcarbamate
SMILESCc1c(O)ccc2cc(OC(=O)NCc3ccccc3)c(=O)oc12
InChIInChI=1S/C18H15NO5/c1-11-14(20)8-7-13-9-15(17(21)24-16(11)13)23-18(22)19-10-12-5-3-2-4-6-12/h2-9,20H,10H2,1H3,(H,19,22)
InChIKeyDNGDHASAUBZQIS-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.10
Rot. Bonds3

About (7-hydroxy-8-methyl-2-oxochromen-3-yl) N-benzylcarbamate

(7-hydroxy-8-methyl-2-oxochromen-3-yl) N-benzylcarbamate (PubChem CID 87265834) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is (7-hydroxy-8-methyl-2-oxochromen-3-yl) N-benzylcarbamate.

Molecular Properties

Compound Name(7-hydroxy-8-methyl-2-oxochromen-3-yl) N-benzylcarbamate
PubChem CID87265834
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name(7-hydroxy-8-methyl-2-oxochromen-3-yl) N-benzylcarbamate
SMILESCc1c(O)ccc2cc(OC(=O)NCc3ccccc3)c(=O)oc12
InChIInChI=1S/C18H15NO5/c1-11-14(20)8-7-13-9-15(17(21)24-16(11)13)23-18(22)19-10-12-5-3-2-4-6-12/h2-9,20H,10H2,1H3,(H,19,22)
InChIKeyDNGDHASAUBZQIS-UHFFFAOYSA-N
XLogP3.10
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-8-methyl-2-oxochromen-3-yl) N-benzylcarbamate?
The IUPAC name of (7-hydroxy-8-methyl-2-oxochromen-3-yl) N-benzylcarbamate (CID 87265834) is (7-hydroxy-8-methyl-2-oxochromen-3-yl) N-benzylcarbamate.
What is the SMILES notation for (7-hydroxy-8-methyl-2-oxochromen-3-yl) N-benzylcarbamate?
The canonical SMILES for (7-hydroxy-8-methyl-2-oxochromen-3-yl) N-benzylcarbamate is Cc1c(O)ccc2cc(OC(=O)NCc3ccccc3)c(=O)oc12.
What is the InChIKey of (7-hydroxy-8-methyl-2-oxochromen-3-yl) N-benzylcarbamate?
The InChIKey is DNGDHASAUBZQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-11-14(20)8-7-13-9-15(17(21)24-16(11)13)23-18(22)19-10-12-5-3-2-4-6-12/h2-9,20H,10H2,1H3,(H,19,22).
What are the key properties of (7-hydroxy-8-methyl-2-oxochromen-3-yl) N-benzylcarbamate?
(7-hydroxy-8-methyl-2-oxochromen-3-yl) N-benzylcarbamate has a molecular weight of 325.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-8-methyl-2-oxochromen-3-yl) N-benzylcarbamate is sourced from PubChem (CID 87265834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).