(6-chloro-4-oxo-2-phenylchromen-3-yl) ethyl carbonate

C18H13ClO5 — CID 7746589

IUPAC(6-chloro-4-oxo-2-phenylchromen-3-yl) ethyl carbonate
SMILESCCOC(=O)Oc1c(-c2ccccc2)oc2ccc(Cl)cc2c1=O
InChIInChI=1S/C18H13ClO5/c1-2-22-18(21)24-17-15(20)13-10-12(19)8-9-14(13)23-16(17)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyGSKXLZILBJLJJH-UHFFFAOYSA-N
MW344.75 g/mol
LogP4.65
Rot. Bonds3

About (6-chloro-4-oxo-2-phenylchromen-3-yl) ethyl carbonate

(6-chloro-4-oxo-2-phenylchromen-3-yl) ethyl carbonate (PubChem CID 7746589) has the molecular formula C18H13ClO5 and a molecular weight of 344.75 g/mol. Its IUPAC name is (6-chloro-4-oxo-2-phenylchromen-3-yl) ethyl carbonate.

Molecular Properties

Compound Name(6-chloro-4-oxo-2-phenylchromen-3-yl) ethyl carbonate
PubChem CID7746589
Molecular FormulaC18H13ClO5
Molecular Weight344.75 g/mol
Exact Mass344.05
IUPAC Name(6-chloro-4-oxo-2-phenylchromen-3-yl) ethyl carbonate
SMILESCCOC(=O)Oc1c(-c2ccccc2)oc2ccc(Cl)cc2c1=O
InChIInChI=1S/C18H13ClO5/c1-2-22-18(21)24-17-15(20)13-10-12(19)8-9-14(13)23-16(17)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyGSKXLZILBJLJJH-UHFFFAOYSA-N
XLogP4.65
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxyethyl 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxyacetate
CID 7746637
6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one
CID 7746601
6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one
CID 7746663
1-(5-chloro-2-phenyl-1-benzofuran-3-yl)ethanone
CID 21452748
6-chloro-3-[3-(4-methylphenoxy)propoxy]-2-phenylchromen-4-one
CID 7746607
methyl (E)-4-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxybut-2-enoate
CID 101197009
(2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid
CID 7747088
6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one
CID 21000206
(6-chloro-4-oxo-2-phenylchromen-3-yl) 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate
CID 21000198
3-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]benzoate
CID 7746624
2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-(2-fluorophenyl)acetamide
CID 21000237
(6-bromo-4-oxo-2-phenylchromen-3-yl) acetate
CID 23792598

Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-oxo-2-phenylchromen-3-yl) ethyl carbonate?
The IUPAC name of (6-chloro-4-oxo-2-phenylchromen-3-yl) ethyl carbonate (CID 7746589) is (6-chloro-4-oxo-2-phenylchromen-3-yl) ethyl carbonate.
What is the SMILES notation for (6-chloro-4-oxo-2-phenylchromen-3-yl) ethyl carbonate?
The canonical SMILES for (6-chloro-4-oxo-2-phenylchromen-3-yl) ethyl carbonate is CCOC(=O)Oc1c(-c2ccccc2)oc2ccc(Cl)cc2c1=O.
What is the InChIKey of (6-chloro-4-oxo-2-phenylchromen-3-yl) ethyl carbonate?
The InChIKey is GSKXLZILBJLJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO5/c1-2-22-18(21)24-17-15(20)13-10-12(19)8-9-14(13)23-16(17)11-6-4-3-5-7-11/h3-10H,2H2,1H3.
What are the key properties of (6-chloro-4-oxo-2-phenylchromen-3-yl) ethyl carbonate?
(6-chloro-4-oxo-2-phenylchromen-3-yl) ethyl carbonate has a molecular weight of 344.75 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4-oxo-2-phenylchromen-3-yl) ethyl carbonate is sourced from PubChem (CID 7746589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).