[3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] N,N-diphenylcarbamate

C30H20F3NO6 — CID 2044143

IUPAC[3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] N,N-diphenylcarbamate
SMILESCOc1cccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)N(c4ccccc4)c4ccccc4)ccc3c2=O)c1
InChIInChI=1S/C30H20F3NO6/c1-37-21-13-8-14-22(17-21)38-27-26(35)24-16-15-23(18-25(24)40-28(27)30(31,32)33)39-29(36)34(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-18H,1H3
InChIKeyURGODQRWZISUIX-UHFFFAOYSA-N
MW547.49 g/mol
LogP7.95
Rot. Bonds6

About [3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] N,N-diphenylcarbamate

[3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] N,N-diphenylcarbamate (PubChem CID 2044143) has the molecular formula C30H20F3NO6 and a molecular weight of 547.49 g/mol. Its IUPAC name is [3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] N,N-diphenylcarbamate.

Molecular Properties

Compound Name[3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] N,N-diphenylcarbamate
PubChem CID2044143
Molecular FormulaC30H20F3NO6
Molecular Weight547.49 g/mol
Exact Mass547.12
IUPAC Name[3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] N,N-diphenylcarbamate
SMILESCOc1cccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)N(c4ccccc4)c4ccccc4)ccc3c2=O)c1
InChIInChI=1S/C30H20F3NO6/c1-37-21-13-8-14-22(17-21)38-27-26(35)24-16-15-23(18-25(24)40-28(27)30(31,32)33)39-29(36)34(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-18H,1H3
InChIKeyURGODQRWZISUIX-UHFFFAOYSA-N
XLogP7.95
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.49
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-methoxy-3-phenoxy-2-(trifluoromethyl)chromen-4-one
CID 746340
ethyl 4-[7-(diphenylcarbamoyloxy)-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate
CID 4631054
[3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3,4-dimethoxybenzoate
CID 2023175
[3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] morpholine-4-carboxylate
CID 1034256
[4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 2-aminopropanoate
CID 21204102
2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetic acid
CID 7140143
[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl] 3-methoxybenzoate
CID 2044468
7-methoxy-3-(4-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one
CID 2406943
7-methoxy-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one
CID 1193474
3-[4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl]oxypropanoic acid
CID 20989867
[3-(2-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-fluorobenzoate
CID 2002161
7-methoxy-3-phenyl-2-(trifluoromethyl)chromen-4-one
CID 746442

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] N,N-diphenylcarbamate?
The IUPAC name of [3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] N,N-diphenylcarbamate (CID 2044143) is [3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] N,N-diphenylcarbamate.
What is the SMILES notation for [3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] N,N-diphenylcarbamate?
The canonical SMILES for [3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] N,N-diphenylcarbamate is COc1cccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)N(c4ccccc4)c4ccccc4)ccc3c2=O)c1.
What is the InChIKey of [3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] N,N-diphenylcarbamate?
The InChIKey is URGODQRWZISUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20F3NO6/c1-37-21-13-8-14-22(17-21)38-27-26(35)24-16-15-23(18-25(24)40-28(27)30(31,32)33)39-29(36)34(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-18H,1H3.
What are the key properties of [3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] N,N-diphenylcarbamate?
[3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] N,N-diphenylcarbamate has a molecular weight of 547.49 g/mol, XLogP of 7.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] N,N-diphenylcarbamate is sourced from PubChem (CID 2044143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).