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

C32H32O8 — CID 161182223

IUPAC2-(2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,6-diol
SMILESCOc1ccccc1C1CC(O)c2cc(O)ccc2O1.COc1ccccc1C1CC(O)c2cc(O)ccc2O1
InChIInChI=1S/2C16H16O4/c2*1-19-14-5-3-2-4-11(14)16-9-13(18)12-8-10(17)6-7-15(12)20-16/h2*2-8,13,16-18H,9H2,1H3
InChIKeyUSPPWTJZQCSJMC-UHFFFAOYSA-N
MW544.60 g/mol
LogP5.92
Rot. Bonds4

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

2-(2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,6-diol (PubChem CID 161182223) has the molecular formula C32H32O8 and a molecular weight of 544.60 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,6-diol.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,6-diol
PubChem CID161182223
Molecular FormulaC32H32O8
Molecular Weight544.60 g/mol
Exact Mass544.21
IUPAC Name2-(2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,6-diol
SMILESCOc1ccccc1C1CC(O)c2cc(O)ccc2O1.COc1ccccc1C1CC(O)c2cc(O)ccc2O1
InChIInChI=1S/2C16H16O4/c2*1-19-14-5-3-2-4-11(14)16-9-13(18)12-8-10(17)6-7-15(12)20-16/h2*2-8,13,16-18H,9H2,1H3
InChIKeyUSPPWTJZQCSJMC-UHFFFAOYSA-N
XLogP5.92
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.60
LogP ≤ 55.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

(4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950789
6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714479
(4R)-6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949171
7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714285
(4S)-6-chloro-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949000
(4S)-6-fluoro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 104948044
(4S)-2-(5-bromo-2-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948223
(4S)-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949924
2-(2-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712012
(4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948273
(4R)-6-chloro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 104949102
2-(3-fluorophenyl)-3,4-dihydro-2H-chromene-4,6-diol
CID 157484623

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,6-diol?
The IUPAC name of 2-(2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,6-diol (CID 161182223) is 2-(2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,6-diol.
What is the SMILES notation for 2-(2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,6-diol?
The canonical SMILES for 2-(2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,6-diol is COc1ccccc1C1CC(O)c2cc(O)ccc2O1.COc1ccccc1C1CC(O)c2cc(O)ccc2O1.
What is the InChIKey of 2-(2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,6-diol?
The InChIKey is USPPWTJZQCSJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H16O4/c2*1-19-14-5-3-2-4-11(14)16-9-13(18)12-8-10(17)6-7-15(12)20-16/h2*2-8,13,16-18H,9H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,6-diol?
2-(2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,6-diol has a molecular weight of 544.60 g/mol, XLogP of 5.92, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,6-diol is sourced from PubChem (CID 161182223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).