(3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

C34H32O8 — CID 139082868

IUPAC(3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc([C@@H]2COc3cc(OC)ccc3C2=O)cc1.COc1ccc([C@H]2COc3cc(OC)ccc3C2=O)cc1
InChIInChI=1S/2C17H16O4/c2*1-19-12-5-3-11(4-6-12)15-10-21-16-9-13(20-2)7-8-14(16)17(15)18/h2*3-9,15H,10H2,1-2H3/t2*15-/m10/s1
InChIKeyOKBHVHRHHHMWAZ-ZWZQDMJTSA-N
MW568.62 g/mol
LogP6.13
Rot. Bonds6

About (3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

(3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 139082868) has the molecular formula C34H32O8 and a molecular weight of 568.62 g/mol. Its IUPAC name is (3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID139082868
Molecular FormulaC34H32O8
Molecular Weight568.62 g/mol
Exact Mass568.21
IUPAC Name(3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc([C@@H]2COc3cc(OC)ccc3C2=O)cc1.COc1ccc([C@H]2COc3cc(OC)ccc3C2=O)cc1
InChIInChI=1S/2C17H16O4/c2*1-19-12-5-3-11(4-6-12)15-10-21-16-9-13(20-2)7-8-14(16)17(15)18/h2*3-9,15H,10H2,1-2H3/t2*15-/m10/s1
InChIKeyOKBHVHRHHHMWAZ-ZWZQDMJTSA-N
XLogP6.13
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.62
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 139082569
3-(4-ethoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 25178059
7-methoxy-3-pyridin-3-yl-2,3-dihydrochromen-4-one
CID 22033214
(3S)-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 163056950
5,7-bis(methoxymethoxy)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 11749149
1-(2-hydroxy-4-methylphenyl)-2-pyridin-4-ylethanone;7-methoxy-3-pyridin-4-yl-2,3-dihydrochromen-4-one
CID 161071393
7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-2,3-dihydrochromen-4-one;7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one
CID 161062460
7-methoxy-3a,4-dihydro-3H-cyclopenta[c]chromen-2-one
CID 10932845
6-methoxy-1-benzofuran-3-one
CID 585368
8-methoxy-2,3-dihydro-1,4-benzodioxepin-5-one
CID 102049944
7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;[4-(7-methyl-4-oxo-2,3-dihydrochromen-3-yl)phenyl] acetate
CID 162201532
7-methoxy-3-(2-phenylethyl)-2,3-dihydrochromen-4-one
CID 54329755

Frequently Asked Questions

What is the IUPAC name of (3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of (3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one (CID 139082868) is (3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for (3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for (3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one is COc1ccc([C@@H]2COc3cc(OC)ccc3C2=O)cc1.COc1ccc([C@H]2COc3cc(OC)ccc3C2=O)cc1.
What is the InChIKey of (3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is OKBHVHRHHHMWAZ-ZWZQDMJTSA-N. The full InChI is InChI=1S/2C17H16O4/c2*1-19-12-5-3-11(4-6-12)15-10-21-16-9-13(20-2)7-8-14(16)17(15)18/h2*3-9,15H,10H2,1-2H3/t2*15-/m10/s1.
What are the key properties of (3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
(3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 568.62 g/mol, XLogP of 6.13, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 139082868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).