2-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-4,6-diol

C17H18O4 — CID 154345810

IUPAC2-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-4,6-diol
SMILESCOc1ccc(C2Oc3ccc(O)cc3C(O)C2C)cc1
InChIInChI=1S/C17H18O4/c1-10-16(19)14-9-12(18)5-8-15(14)21-17(10)11-3-6-13(20-2)7-4-11/h3-10,16-19H,1-2H3
InChIKeyNBNZFGMAJTUHIK-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.20
Rot. Bonds2

About 2-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-4,6-diol

2-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-4,6-diol (PubChem CID 154345810) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-4,6-diol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-4,6-diol
PubChem CID154345810
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-4,6-diol
SMILESCOc1ccc(C2Oc3ccc(O)cc3C(O)C2C)cc1
InChIInChI=1S/C17H18O4/c1-10-16(19)14-9-12(18)5-8-15(14)21-17(10)11-3-6-13(20-2)7-4-11/h3-10,16-19H,1-2H3
InChIKeyNBNZFGMAJTUHIK-UHFFFAOYSA-N
XLogP3.20
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-3-(hydroxymethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol
CID 11482661
4-[(2S,3S,4R,5R)-5-(4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,3-diol
CID 166448551
(2S,3S)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 5314855
[(2R,3S)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methanol
CID 101241547
(2S,3R)-3,5,7-trihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 162915885
(2R,3R)-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol
CID 101248074
2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane
CID 14681590
(2S,3S)-3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 154496184
(2R,3R)-3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 10403456
(2R,3S,4R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol
CID 14080194
4-(4-hydroxyphenyl)-3-methyl-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
CID 142244951
7-chloro-2-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 10786053

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-4,6-diol?
The IUPAC name of 2-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-4,6-diol (CID 154345810) is 2-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-4,6-diol.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-4,6-diol?
The canonical SMILES for 2-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-4,6-diol is COc1ccc(C2Oc3ccc(O)cc3C(O)C2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-4,6-diol?
The InChIKey is NBNZFGMAJTUHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-10-16(19)14-9-12(18)5-8-15(14)21-17(10)11-3-6-13(20-2)7-4-11/h3-10,16-19H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-4,6-diol?
2-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-4,6-diol has a molecular weight of 286.33 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-4,6-diol is sourced from PubChem (CID 154345810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).