2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol

C16H16O4 — CID 25232840

IUPAC2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol
SMILESCOc1ccc(C2CCc3c(O)cc(O)cc3O2)cc1
InChIInChI=1S/C16H16O4/c1-19-12-4-2-10(3-5-12)15-7-6-13-14(18)8-11(17)9-16(13)20-15/h2-5,8-9,15,17-18H,6-7H2,1H3
InChIKeyTZKJYXVKIZDLJU-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.17
Rot. Bonds2

About 2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol

2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol (PubChem CID 25232840) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol
PubChem CID25232840
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol
SMILESCOc1ccc(C2CCc3c(O)cc(O)cc3O2)cc1
InChIInChI=1S/C16H16O4/c1-19-12-4-2-10(3-5-12)15-7-6-13-14(18)8-11(17)9-16(13)20-15/h2-5,8-9,15,17-18H,6-7H2,1H3
InChIKeyTZKJYXVKIZDLJU-UHFFFAOYSA-N
XLogP3.17
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol?
The IUPAC name of 2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol (CID 25232840) is 2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol.
What is the SMILES notation for 2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol?
The canonical SMILES for 2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol is COc1ccc(C2CCc3c(O)cc(O)cc3O2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol?
The InChIKey is TZKJYXVKIZDLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-12-4-2-10(3-5-12)15-7-6-13-14(18)8-11(17)9-16(13)20-15/h2-5,8-9,15,17-18H,6-7H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol?
2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol has a molecular weight of 272.30 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol is sourced from PubChem (CID 25232840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).