2-(4-hydroxyphenyl)-5,7-dimethoxy-8-methyl-3,4-dihydro-2H-chromen-3-ol

C18H20O5 — CID 85354014

IUPAC2-(4-hydroxyphenyl)-5,7-dimethoxy-8-methyl-3,4-dihydro-2H-chromen-3-ol
SMILESCOc1cc(OC)c2c(c1C)OC(c1ccc(O)cc1)C(O)C2
InChIInChI=1S/C18H20O5/c1-10-15(21-2)9-16(22-3)13-8-14(20)18(23-17(10)13)11-4-6-12(19)7-5-11/h4-7,9,14,18-20H,8H2,1-3H3
InChIKeyZCERTFNXYPDOND-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.75
Rot. Bonds3

About 2-(4-hydroxyphenyl)-5,7-dimethoxy-8-methyl-3,4-dihydro-2H-chromen-3-ol

2-(4-hydroxyphenyl)-5,7-dimethoxy-8-methyl-3,4-dihydro-2H-chromen-3-ol (PubChem CID 85354014) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-5,7-dimethoxy-8-methyl-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-5,7-dimethoxy-8-methyl-3,4-dihydro-2H-chromen-3-ol
PubChem CID85354014
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name2-(4-hydroxyphenyl)-5,7-dimethoxy-8-methyl-3,4-dihydro-2H-chromen-3-ol
SMILESCOc1cc(OC)c2c(c1C)OC(c1ccc(O)cc1)C(O)C2
InChIInChI=1S/C18H20O5/c1-10-15(21-2)9-16(22-3)13-8-14(20)18(23-17(10)13)11-4-6-12(19)7-5-11/h4-7,9,14,18-20H,8H2,1-3H3
InChIKeyZCERTFNXYPDOND-UHFFFAOYSA-N
XLogP2.75
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-2-(4-hydroxyphenyl)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-3-ol
CID 637885
(2R,3S)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
CID 6708556
(2R,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-3-ol
CID 102088061
3-(4-methoxyphenyl)-1-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]propan-1-one
CID 73331657
1-[(2R,3S)-2-(3,5-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3-phenylprop-2-en-1-one
CID 162982165
1-[(2S,3R)-2-(3,5-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3-phenylprop-2-en-1-one
CID 162982166
(3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
CID 102352404
(E)-1-[(2S,3S)-3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3-phenylprop-2-en-1-one
CID 101472268
[(2R,3R)-3,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-5-yl] hydrogen sulfate
CID 71579213
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 158527508
azane;[(2R,3R)-3,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-5-yl] hydrogen sulfate
CID 71579212
2-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 607273

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-5,7-dimethoxy-8-methyl-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-5,7-dimethoxy-8-methyl-3,4-dihydro-2H-chromen-3-ol (CID 85354014) is 2-(4-hydroxyphenyl)-5,7-dimethoxy-8-methyl-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-5,7-dimethoxy-8-methyl-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-5,7-dimethoxy-8-methyl-3,4-dihydro-2H-chromen-3-ol is COc1cc(OC)c2c(c1C)OC(c1ccc(O)cc1)C(O)C2.
What is the InChIKey of 2-(4-hydroxyphenyl)-5,7-dimethoxy-8-methyl-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is ZCERTFNXYPDOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-10-15(21-2)9-16(22-3)13-8-14(20)18(23-17(10)13)11-4-6-12(19)7-5-11/h4-7,9,14,18-20H,8H2,1-3H3.
What are the key properties of 2-(4-hydroxyphenyl)-5,7-dimethoxy-8-methyl-3,4-dihydro-2H-chromen-3-ol?
2-(4-hydroxyphenyl)-5,7-dimethoxy-8-methyl-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 316.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-5,7-dimethoxy-8-methyl-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 85354014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).