[(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate

C19H18O6 — CID 14539349

IUPAC[(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate
SMILESCOc1ccc([C@H]2Oc3cc(OC)ccc3C(=O)[C@@H]2OC(C)=O)cc1
InChIInChI=1S/C19H18O6/c1-11(20)24-19-17(21)15-9-8-14(23-3)10-16(15)25-18(19)12-4-6-13(22-2)7-5-12/h4-10,18-19H,1-3H3/t18-,19+/m1/s1
InChIKeyUNDVUXLCQPERNU-MOPGFXCFSA-N
MW342.35 g/mol
LogP2.95
Rot. Bonds4

About [(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate

[(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate (PubChem CID 14539349) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is [(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate
PubChem CID14539349
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Name[(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate
SMILESCOc1ccc([C@H]2Oc3cc(OC)ccc3C(=O)[C@@H]2OC(C)=O)cc1
InChIInChI=1S/C19H18O6/c1-11(20)24-19-17(21)15-9-8-14(23-3)10-16(15)25-18(19)12-4-6-13(22-2)7-5-12/h4-10,18-19H,1-3H3/t18-,19+/m1/s1
InChIKeyUNDVUXLCQPERNU-MOPGFXCFSA-N
XLogP2.95
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,3R)-7-acetyloxy-2-(3,4-diacetyloxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate
CID 14079030
[(2S,3S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxo-2,3-dihydrochromen-3-yl] acetate
CID 91727421
[(2S,3S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-3-yl] acetate
CID 162860029
[4-[3-acetyloxy-7-methoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrochromen-8-yl]-7-methoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
CID 162938980
[2-(3,4-diacetyloxyphenyl)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-3-yl] acetate
CID 11259330
[(2S)-2-(1,3-benzodioxol-5-yl)-7-methoxy-4-oxo-2,3-dihydrochromen-3-yl] N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 126480114
[5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-2,3-dihydrochromen-3-yl] acetate
CID 3512642
[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate
CID 14861264
[(2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
CID 102092506
7-chloro-2-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 10786053
[(2S)-7-methoxy-4-oxo-2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-3-yl] N-(furan-2-ylmethyl)carbamate
CID 126480104
(5-methoxy-1,3-dioxoinden-2-yl) acetate
CID 139638210

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate?
The IUPAC name of [(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate (CID 14539349) is [(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate.
What is the SMILES notation for [(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate?
The canonical SMILES for [(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate is COc1ccc([C@H]2Oc3cc(OC)ccc3C(=O)[C@@H]2OC(C)=O)cc1.
What is the InChIKey of [(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate?
The InChIKey is UNDVUXLCQPERNU-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H18O6/c1-11(20)24-19-17(21)15-9-8-14(23-3)10-16(15)25-18(19)12-4-6-13(22-2)7-5-12/h4-10,18-19H,1-3H3/t18-,19+/m1/s1.
What are the key properties of [(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate?
[(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate has a molecular weight of 342.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate is sourced from PubChem (CID 14539349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).