(2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 2-(4-chlorophenyl)acetate

C21H19ClO5 — CID 162659877

IUPAC(2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 2-(4-chlorophenyl)acetate
SMILESCCc1cc(=O)c2ccc(OC)c(COC(=O)Cc3ccc(Cl)cc3)c2o1
InChIInChI=1S/C21H19ClO5/c1-3-15-11-18(23)16-8-9-19(25-2)17(21(16)27-15)12-26-20(24)10-13-4-6-14(22)7-5-13/h4-9,11H,3,10,12H2,1-2H3
InChIKeyYIRSGFUGSSZCAQ-UHFFFAOYSA-N
MW386.83 g/mol
LogP4.30
Rot. Bonds6

About (2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 2-(4-chlorophenyl)acetate

(2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 2-(4-chlorophenyl)acetate (PubChem CID 162659877) has the molecular formula C21H19ClO5 and a molecular weight of 386.83 g/mol. Its IUPAC name is (2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name(2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 2-(4-chlorophenyl)acetate
PubChem CID162659877
Molecular FormulaC21H19ClO5
Molecular Weight386.83 g/mol
Exact Mass386.09
IUPAC Name(2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 2-(4-chlorophenyl)acetate
SMILESCCc1cc(=O)c2ccc(OC)c(COC(=O)Cc3ccc(Cl)cc3)c2o1
InChIInChI=1S/C21H19ClO5/c1-3-15-11-18(23)16-8-9-19(25-2)17(21(16)27-15)12-26-20(24)10-13-4-6-14(22)7-5-13/h4-9,11H,3,10,12H2,1-2H3
InChIKeyYIRSGFUGSSZCAQ-UHFFFAOYSA-N
XLogP4.30
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.83
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 3,4,5-trimethoxybenzoate
CID 162658811
8-(bromomethyl)-2-ethyl-7-methoxychromen-4-one
CID 56642010
(7-ethyl-2-oxochromen-4-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615722
(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-(4-chlorophenyl)acetate
CID 8579219
(2,6-dichlorophenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 2434345
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750443
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8671876
(5-chloro-2-methoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]acetate
CID 55423607
[2-ethyl-4-oxo-7-(pyridin-4-ylmethoxy)chromen-8-yl]methyl (1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
CID 71592658
2-(aminomethyl)-7,8-dimethoxychromen-4-one;hydrochloride
CID 82020834
(4-chlorophenyl)methyl 2-(4-aminophenyl)acetate
CID 61323404
N-[(4-chlorophenyl)methyl]-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
CID 4913962

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 2-(4-chlorophenyl)acetate?
The IUPAC name of (2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 2-(4-chlorophenyl)acetate (CID 162659877) is (2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 2-(4-chlorophenyl)acetate.
What is the SMILES notation for (2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 2-(4-chlorophenyl)acetate?
The canonical SMILES for (2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 2-(4-chlorophenyl)acetate is CCc1cc(=O)c2ccc(OC)c(COC(=O)Cc3ccc(Cl)cc3)c2o1.
What is the InChIKey of (2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 2-(4-chlorophenyl)acetate?
The InChIKey is YIRSGFUGSSZCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClO5/c1-3-15-11-18(23)16-8-9-19(25-2)17(21(16)27-15)12-26-20(24)10-13-4-6-14(22)7-5-13/h4-9,11H,3,10,12H2,1-2H3.
What are the key properties of (2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 2-(4-chlorophenyl)acetate?
(2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 2-(4-chlorophenyl)acetate has a molecular weight of 386.83 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 162659877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).