3-(4-ethoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one

C18H18O4 — CID 25178059

IUPAC3-(4-ethoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
SMILESCCOc1ccc(C2COc3cc(OC)ccc3C2=O)cc1
InChIInChI=1S/C18H18O4/c1-3-21-13-6-4-12(5-7-13)16-11-22-17-10-14(20-2)8-9-15(17)18(16)19/h4-10,16H,3,11H2,1-2H3
InChIKeySWXGEXVMUUYXMD-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.45
Rot. Bonds4

About 3-(4-ethoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one

3-(4-ethoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one (PubChem CID 25178059) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
PubChem CID25178059
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name3-(4-ethoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
SMILESCCOc1ccc(C2COc3cc(OC)ccc3C2=O)cc1
InChIInChI=1S/C18H18O4/c1-3-21-13-6-4-12(5-7-13)16-11-22-17-10-14(20-2)8-9-15(17)18(16)19/h4-10,16H,3,11H2,1-2H3
InChIKeySWXGEXVMUUYXMD-UHFFFAOYSA-N
XLogP3.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 139082868
(3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 139082569
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
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
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-[2-(4-methylpiperazin-1-yl)ethoxy]-3-[4-(trifluoromethoxy)phenyl]-2,3-dihydrochromen-4-one
CID 121328247
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-methoxy-2,3-dihydrochromen-4-one
CID 3848928
7-methoxy-3-(2-phenylethyl)-2,3-dihydrochromen-4-one
CID 54329755
7-methoxy-3a,4-dihydro-3H-cyclopenta[c]chromen-2-one
CID 10932845
S-(7-methoxy-4-oxo-2,3-dihydrochromen-3-yl) 2,2,2-trifluoroethanethioate
CID 57178711

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 3-(4-ethoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one (CID 25178059) is 3-(4-ethoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-(4-ethoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one is CCOc1ccc(C2COc3cc(OC)ccc3C2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is SWXGEXVMUUYXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-3-21-13-6-4-12(5-7-13)16-11-22-17-10-14(20-2)8-9-15(17)18(16)19/h4-10,16H,3,11H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one?
3-(4-ethoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 298.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 25178059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).