5,7-dimethoxy-2-phenyl-2H-chromene

C17H16O3 — CID 10635591

IUPAC5,7-dimethoxy-2-phenyl-2H-chromene
SMILESCOc1cc(OC)c2c(c1)OC(c1ccccc1)C=C2
InChIInChI=1S/C17H16O3/c1-18-13-10-16(19-2)14-8-9-15(20-17(14)11-13)12-6-4-3-5-7-12/h3-11,15H,1-2H3
InChIKeyXTZYRKOKKXRLNP-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.85
Rot. Bonds3

About 5,7-dimethoxy-2-phenyl-2H-chromene

5,7-dimethoxy-2-phenyl-2H-chromene (PubChem CID 10635591) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 5,7-dimethoxy-2-phenyl-2H-chromene.

Molecular Properties

Compound Name5,7-dimethoxy-2-phenyl-2H-chromene
PubChem CID10635591
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name5,7-dimethoxy-2-phenyl-2H-chromene
SMILESCOc1cc(OC)c2c(c1)OC(c1ccccc1)C=C2
InChIInChI=1S/C17H16O3/c1-18-13-10-16(19-2)14-8-9-15(20-17(14)11-13)12-6-4-3-5-7-12/h3-11,15H,1-2H3
InChIKeyXTZYRKOKKXRLNP-UHFFFAOYSA-N
XLogP3.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2-[(2-phenyl-2H-chromen-6-yl)oxy]aniline
CID 170553096
(2S,4S)-5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 10755627
2-(4-methoxyphenyl)-2H-benzo[h]chromen-5-ol
CID 175191618
6,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 24978119
6,8-dimethoxy-2-phenyl-2,3-dihydrochromeno[2,3-d]pyrimidine-4-thione
CID 13491001
4-[3-(3-fluoro-4-methoxyphenyl)-3H-benzo[f]chromen-6-yl]morpholine
CID 70169765
2-(3-methoxyphenyl)-2,5-dihydro-1-benzoxepine
CID 75985500
7,9-dimethoxy-4-methyl-6-phenyl-3,6-dihydro-2H-1,5,4-benzodioxazocine
CID 14195480
5,7-dimethoxy-N-phenyl-3,9a-dihydrochromeno[2,3-b]pyrrol-2-amine
CID 70937381
(2R)-5,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxathiine
CID 135009862
(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104948683
(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 104944729

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-phenyl-2H-chromene?
The IUPAC name of 5,7-dimethoxy-2-phenyl-2H-chromene (CID 10635591) is 5,7-dimethoxy-2-phenyl-2H-chromene.
What is the SMILES notation for 5,7-dimethoxy-2-phenyl-2H-chromene?
The canonical SMILES for 5,7-dimethoxy-2-phenyl-2H-chromene is COc1cc(OC)c2c(c1)OC(c1ccccc1)C=C2.
What is the InChIKey of 5,7-dimethoxy-2-phenyl-2H-chromene?
The InChIKey is XTZYRKOKKXRLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-18-13-10-16(19-2)14-8-9-15(20-17(14)11-13)12-6-4-3-5-7-12/h3-11,15H,1-2H3.
What are the key properties of 5,7-dimethoxy-2-phenyl-2H-chromene?
5,7-dimethoxy-2-phenyl-2H-chromene has a molecular weight of 268.31 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-phenyl-2H-chromene is sourced from PubChem (CID 10635591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).