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

C17H18O4 — CID 114714356

IUPAC7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1cccc(C2CC(O)c3ccc(OC)cc3O2)c1
InChIInChI=1S/C17H18O4/c1-19-12-5-3-4-11(8-12)16-10-15(18)14-7-6-13(20-2)9-17(14)21-16/h3-9,15-16,18H,10H2,1-2H3
InChIKeyHEZULYZYVAOSJF-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.26
Rot. Bonds3

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

7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714356) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714356
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1cccc(C2CC(O)c3ccc(OC)cc3O2)c1
InChIInChI=1S/C17H18O4/c1-19-12-5-3-4-11(8-12)16-10-15(18)14-7-6-13(20-2)9-17(14)21-16/h3-9,15-16,18H,10H2,1-2H3
InChIKeyHEZULYZYVAOSJF-UHFFFAOYSA-N
XLogP3.26
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104948683
2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714377
[3-[(2R,4S)-4-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-2-yl]phenyl] acetate
CID 821291
(4R)-2-(4-fluoro-3-methylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104948583
(4R)-2-(3-chloro-4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104948581
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-(2,4-dimethylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714374
(4S)-2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951800
2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715708
2-(4-bromo-5-methylthiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 102845963
2-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 69262999

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol (CID 114714356) is 7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol is COc1cccc(C2CC(O)c3ccc(OC)cc3O2)c1.
What is the InChIKey of 7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is HEZULYZYVAOSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-19-12-5-3-4-11(8-12)16-10-15(18)14-7-6-13(20-2)9-17(14)21-16/h3-9,15-16,18H,10H2,1-2H3.
What are the key properties of 7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 286.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).