ethyl (2R)-2-[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanoate

C23H24O5 — CID 7732374

IUPACethyl (2R)-2-[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanoate
SMILESCCOC(=O)[C@@H](C)Oc1c(-c2ccc(C)cc2)oc2cc(C)c(C)cc2c1=O
InChIInChI=1S/C23H24O5/c1-6-26-23(25)16(5)27-22-20(24)18-11-14(3)15(4)12-19(18)28-21(22)17-9-7-13(2)8-10-17/h7-12,16H,6H2,1-5H3/t16-/m1/s1
InChIKeyMBLHCRBGBMCZRT-MRXNPFEDSA-N
MW380.44 g/mol
LogP4.72
Rot. Bonds5

About ethyl (2R)-2-[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanoate

ethyl (2R)-2-[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanoate (PubChem CID 7732374) has the molecular formula C23H24O5 and a molecular weight of 380.44 g/mol. Its IUPAC name is ethyl (2R)-2-[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanoate
PubChem CID7732374
Molecular FormulaC23H24O5
Molecular Weight380.44 g/mol
Exact Mass380.16
IUPAC Nameethyl (2R)-2-[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanoate
SMILESCCOC(=O)[C@@H](C)Oc1c(-c2ccc(C)cc2)oc2cc(C)c(C)cc2c1=O
InChIInChI=1S/C23H24O5/c1-6-26-23(25)16(5)27-22-20(24)18-11-14(3)15(4)12-19(18)28-21(22)17-9-7-13(2)8-10-17/h7-12,16H,6H2,1-5H3/t16-/m1/s1
InChIKeyMBLHCRBGBMCZRT-MRXNPFEDSA-N
XLogP4.72
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanoate
CID 7747648
ethyl 2-[2-(4-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxypropanoate
CID 4112757
6,7-dimethyl-2-(4-methylphenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one
CID 20999491
methyl 2-[2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxypropanoate
CID 5172607
methyl (2R)-2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxypropanoate
CID 7742903
ethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
CID 3374835
[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl] 4-fluorobenzoate
CID 7732346
N-(3,5-dichlorophenyl)-2-[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide
CID 20999510
2-(4-chlorophenyl)-7-methyl-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one
CID 4126222
2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid
CID 7742761
2-[2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 7732418
[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl] 4-nitrobenzoate
CID 20999475

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanoate?
The IUPAC name of ethyl (2R)-2-[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanoate (CID 7732374) is ethyl (2R)-2-[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanoate.
What is the SMILES notation for ethyl (2R)-2-[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanoate?
The canonical SMILES for ethyl (2R)-2-[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanoate is CCOC(=O)[C@@H](C)Oc1c(-c2ccc(C)cc2)oc2cc(C)c(C)cc2c1=O.
What is the InChIKey of ethyl (2R)-2-[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanoate?
The InChIKey is MBLHCRBGBMCZRT-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24O5/c1-6-26-23(25)16(5)27-22-20(24)18-11-14(3)15(4)12-19(18)28-21(22)17-9-7-13(2)8-10-17/h7-12,16H,6H2,1-5H3/t16-/m1/s1.
What are the key properties of ethyl (2R)-2-[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanoate?
ethyl (2R)-2-[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanoate has a molecular weight of 380.44 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanoate is sourced from PubChem (CID 7732374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).