4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol

C15H14O4 — CID 585939

IUPAC4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol
SMILESOc1ccc(C2COc3cc(O)ccc3C2)c(O)c1
InChIInChI=1S/C15H14O4/c16-11-3-4-13(14(18)6-11)10-5-9-1-2-12(17)7-15(9)19-8-10/h1-4,6-7,10,16-18H,5,8H2
InChIKeyCJZBXHPHEBCWLV-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.52
Rot. Bonds1

About 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol

4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol (PubChem CID 585939) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol
PubChem CID585939
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol
SMILESOc1ccc(C2COc3cc(O)ccc3C2)c(O)c1
InChIInChI=1S/C15H14O4/c16-11-3-4-13(14(18)6-11)10-5-9-1-2-12(17)7-15(9)19-8-10/h1-4,6-7,10,16-18H,5,8H2
InChIKeyCJZBXHPHEBCWLV-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol?
The IUPAC name of 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol (CID 585939) is 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol?
The canonical SMILES for 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol is Oc1ccc(C2COc3cc(O)ccc3C2)c(O)c1.
What is the InChIKey of 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol?
The InChIKey is CJZBXHPHEBCWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c16-11-3-4-13(14(18)6-11)10-5-9-1-2-12(17)7-15(9)19-8-10/h1-4,6-7,10,16-18H,5,8H2.
What are the key properties of 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol?
4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol has a molecular weight of 258.27 g/mol, XLogP of 2.52, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol is sourced from PubChem (CID 585939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).