2-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol

C22H20O4 — CID 69262999

IUPAC2-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1cccc(C2CC(c3cccc(O)c3)Oc3cc(O)ccc32)c1
InChIInChI=1S/C22H20O4/c1-25-18-7-3-4-14(11-18)20-13-21(15-5-2-6-16(23)10-15)26-22-12-17(24)8-9-19(20)22/h2-12,20-21,23-24H,13H2,1H3
InChIKeyNCGBXKPGMPONEQ-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.76
Rot. Bonds3

About 2-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol

2-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol (PubChem CID 69262999) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
PubChem CID69262999
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name2-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1cccc(C2CC(c3cccc(O)c3)Oc3cc(O)ccc32)c1
InChIInChI=1S/C22H20O4/c1-25-18-7-3-4-14(11-18)20-13-21(15-5-2-6-16(23)10-15)26-22-12-17(24)8-9-19(20)22/h2-12,20-21,23-24H,13H2,1H3
InChIKeyNCGBXKPGMPONEQ-UHFFFAOYSA-N
XLogP4.76
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714377
7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714356
3-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 11405317
4-(4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol
CID 114708803
7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713587
[3-[(2R,4S)-4-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-2-yl]phenyl] acetate
CID 821291
(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104948683
(2R)-2-(3-methoxyphenyl)oxirane
CID 22882163
(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 104944729
2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715253
(2R,4S)-6-bromo-7-methoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-2H-chromene
CID 42645227
1-(3-methoxyphenyl)-3,4-dihydro-1H-isochromen-6-ol
CID 132523813

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 2-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol (CID 69262999) is 2-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 2-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 2-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol is COc1cccc(C2CC(c3cccc(O)c3)Oc3cc(O)ccc32)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is NCGBXKPGMPONEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-25-18-7-3-4-14(11-18)20-13-21(15-5-2-6-16(23)10-15)26-22-12-17(24)8-9-19(20)22/h2-12,20-21,23-24H,13H2,1H3.
What are the key properties of 2-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
2-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 348.40 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 69262999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).