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

C16H16O4 — CID 114714377

IUPAC2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)OC(c1cccc(O)c1)CC2O
InChIInChI=1S/C16H16O4/c1-19-12-5-6-13-14(18)9-15(20-16(13)8-12)10-3-2-4-11(17)7-10/h2-8,14-15,17-18H,9H2,1H3
InChIKeyFYHIIXZGTLMHHV-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.96
Rot. Bonds2

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

2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714377) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714377
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)OC(c1cccc(O)c1)CC2O
InChIInChI=1S/C16H16O4/c1-19-12-5-6-13-14(18)9-15(20-16(13)8-12)10-3-2-4-11(17)7-10/h2-8,14-15,17-18H,9H2,1H3
InChIKeyFYHIIXZGTLMHHV-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714356
(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104948683
[3-[(2R,4S)-4-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-2-yl]phenyl] acetate
CID 821291
(4R)-2-(3-chloro-4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104948581
2-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 69262999
(4R)-2-(4-fluoro-3-methylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104948583
7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714285
2-(3-bromo-4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714248
2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715253
2-(2,4-dimethylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714374
4-(4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol
CID 114708803
(2S,3S)-2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-ol
CID 141421484

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol (CID 114714377) is 2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol is COc1ccc2c(c1)OC(c1cccc(O)c1)CC2O.
What is the InChIKey of 2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is FYHIIXZGTLMHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-12-5-6-13-14(18)9-15(20-16(13)8-12)10-3-2-4-11(17)7-10/h2-8,14-15,17-18H,9H2,1H3.
What are the key properties of 2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 272.30 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).