4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione

C16H16O4 — CID 56650530

IUPAC4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione
SMILESCOc1ccccc1C1CC(=O)OC2=C1C(=O)CCC2
InChIInChI=1S/C16H16O4/c1-19-13-7-3-2-5-10(13)11-9-15(18)20-14-8-4-6-12(17)16(11)14/h2-3,5,7,11H,4,6,8-9H2,1H3
InChIKeyHWSYCWDCIHHVEJ-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.73
Rot. Bonds2

About 4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione

4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione (PubChem CID 56650530) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione
PubChem CID56650530
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione
SMILESCOc1ccccc1C1CC(=O)OC2=C1C(=O)CCC2
InChIInChI=1S/C16H16O4/c1-19-13-7-3-2-5-10(13)11-9-15(18)20-14-8-4-6-12(17)16(11)14/h2-3,5,7,11H,4,6,8-9H2,1H3
InChIKeyHWSYCWDCIHHVEJ-UHFFFAOYSA-N
XLogP2.73
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (4R)-2-amino-4-(2-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
CID 947403
4-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione
CID 162373113
1-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23802309
(4S)-4-methyl-4,6,7,8-tetrahydro-3H-chromene-2,5-dione
CID 125477096
4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 10754643
(4S)-5,6,7-trimethoxy-4-(2-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 6540077
2-(2-methoxyphenyl)cycloheptan-1-one
CID 44718991
2-[9-(2-methoxyphenyl)-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid
CID 1149992
(4R)-4-(2-methoxyphenyl)oxolan-2-one
CID 125041277
(5S)-5-(2-methoxyphenyl)oxolan-2-one
CID 10750262
2-[2-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenoxy]-N-(3-methylphenyl)acetamide
CID 126264022
(4R)-4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 973947

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione?
The IUPAC name of 4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione (CID 56650530) is 4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione.
What is the SMILES notation for 4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione?
The canonical SMILES for 4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione is COc1ccccc1C1CC(=O)OC2=C1C(=O)CCC2.
What is the InChIKey of 4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione?
The InChIKey is HWSYCWDCIHHVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-13-7-3-2-5-10(13)11-9-15(18)20-14-8-4-6-12(17)16(11)14/h2-3,5,7,11H,4,6,8-9H2,1H3.
What are the key properties of 4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione?
4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione has a molecular weight of 272.30 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione is sourced from PubChem (CID 56650530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).