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

C15H14O4 — CID 150798747

IUPAC2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol
SMILESOc1cccc(C2CCc3c(O)cc(O)cc3O2)c1
InChIInChI=1S/C15H14O4/c16-10-3-1-2-9(6-10)14-5-4-12-13(18)7-11(17)8-15(12)19-14/h1-3,6-8,14,16-18H,4-5H2
InChIKeyKFKAPRTUCVPPRQ-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.87
Rot. Bonds1

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

2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol (PubChem CID 150798747) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol
PubChem CID150798747
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol
SMILESOc1cccc(C2CCc3c(O)cc(O)cc3O2)c1
InChIInChI=1S/C15H14O4/c16-10-3-1-2-9(6-10)14-5-4-12-13(18)7-11(17)8-15(12)19-14/h1-3,6-8,14,16-18H,4-5H2
InChIKeyKFKAPRTUCVPPRQ-UHFFFAOYSA-N
XLogP2.87
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol?
The IUPAC name of 2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol (CID 150798747) is 2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol.
What is the SMILES notation for 2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol?
The canonical SMILES for 2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol is Oc1cccc(C2CCc3c(O)cc(O)cc3O2)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol?
The InChIKey is KFKAPRTUCVPPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c16-10-3-1-2-9(6-10)14-5-4-12-13(18)7-11(17)8-15(12)19-14/h1-3,6-8,14,16-18H,4-5H2.
What are the key properties of 2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol?
2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol has a molecular weight of 258.27 g/mol, XLogP of 2.87, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol is sourced from PubChem (CID 150798747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).