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

C15H14O5 — CID 101141276

IUPAC2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol
SMILESOc1cccc(C2Oc3cc(O)ccc3C(O)C2O)c1
InChIInChI=1S/C15H14O5/c16-9-3-1-2-8(6-9)15-14(19)13(18)11-5-4-10(17)7-12(11)20-15/h1-7,13-19H
InChIKeyPTZZKNJHKJIMTN-UHFFFAOYSA-N
MW274.27 g/mol
LogP1.63
Rot. Bonds1

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

2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol (PubChem CID 101141276) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol
PubChem CID101141276
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol
SMILESOc1cccc(C2Oc3cc(O)ccc3C(O)C2O)c1
InChIInChI=1S/C15H14O5/c16-9-3-1-2-8(6-9)15-14(19)13(18)11-5-4-10(17)7-12(11)20-15/h1-7,13-19H
InChIKeyPTZZKNJHKJIMTN-UHFFFAOYSA-N
XLogP1.63
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S,4S)-2-[2-[(2R,3S,4S)-3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4,5-trihydroxyphenyl]-3,4-dihydro-2H-chromene-3,4,7-triol
CID 162935370
(2S,3S,4S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromene-3,4-diol
CID 14991958
2-phenyl-3,4-dihydro-2H-chromene-3,4,5,7-tetrol
CID 66548355
(2R,3R,4R)-4-[3-[(2R,3S,4S)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-4,6-dihydroxy-2-[2-(4-hydroxyphenyl)ethenyl]phenyl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
CID 162880555
(2R,3S,4R,5S)-2-(hydroxymethyl)-6-(3-hydroxyphenyl)oxane-3,4,5-triol
CID 71731174
(2R,3S,4R)-4-(2,4-dihydroxy-6-methylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
CID 162952833
(2R,3S,4R)-4-(2,4-dihydroxy-3-methoxyphenyl)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
CID 14463100
(2R,4S)-2-(furan-2-yl)-3,4-dihydro-2H-chromene-4,7-diol
CID 124565841
(2R,3S)-2-(3,4-dihydroxyphenyl)-6-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,7-diol
CID 14540817
(2R,3S,4R)-4-[2-[(2R,3S)-3,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl]-4,5-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
CID 162973256
(2S,3S)-2-(3,4-dihydroxyphenyl)-6-[(2S,3S,4R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,7-diol
CID 14540821
(2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,4,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
CID 162858835

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol?
The IUPAC name of 2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol (CID 101141276) is 2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol.
What is the SMILES notation for 2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol?
The canonical SMILES for 2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol is Oc1cccc(C2Oc3cc(O)ccc3C(O)C2O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol?
The InChIKey is PTZZKNJHKJIMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c16-9-3-1-2-8(6-9)15-14(19)13(18)11-5-4-10(17)7-12(11)20-15/h1-7,13-19H.
What are the key properties of 2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol?
2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol has a molecular weight of 274.27 g/mol, XLogP of 1.63, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol is sourced from PubChem (CID 101141276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).