5-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3,7-diol

C37H34O7 — CID 146270563

IUPAC5-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3,7-diol
SMILESCOc1cc(O)cc2c1CC(O)C(c1cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c1)O2
InChIInChI=1S/C37H34O7/c1-40-32-19-29(38)20-33-30(32)21-31(39)36(44-33)28-17-34(41-22-25-11-5-2-6-12-25)37(43-24-27-15-9-4-10-16-27)35(18-28)42-23-26-13-7-3-8-14-26/h2-20,31,36,38-39H,21-24H2,1H3
InChIKeyBJDGQNSYWHHGLC-UHFFFAOYSA-N
MW590.67 g/mol
LogP7.17
Rot. Bonds11

About 5-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3,7-diol

5-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3,7-diol (PubChem CID 146270563) has the molecular formula C37H34O7 and a molecular weight of 590.67 g/mol. Its IUPAC name is 5-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3,7-diol.

Molecular Properties

Compound Name5-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3,7-diol
PubChem CID146270563
Molecular FormulaC37H34O7
Molecular Weight590.67 g/mol
Exact Mass590.23
IUPAC Name5-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3,7-diol
SMILESCOc1cc(O)cc2c1CC(O)C(c1cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c1)O2
InChIInChI=1S/C37H34O7/c1-40-32-19-29(38)20-33-30(32)21-31(39)36(44-33)28-17-34(41-22-25-11-5-2-6-12-25)37(43-24-27-15-9-4-10-16-27)35(18-28)42-23-26-13-7-3-8-14-26/h2-20,31,36,38-39H,21-24H2,1H3
InChIKeyBJDGQNSYWHHGLC-UHFFFAOYSA-N
XLogP7.17
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.67
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxy-3,4-dihydro-2H-chromene-3,7-diol
CID 134951203
2-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 146393584
2-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 607273
(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-5-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 90393387
(2S,3S)-2-phenyl-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol
CID 67772487
(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-3,5-bis(phenylmethoxy)-3,4-dihydro-2H-chromene;(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-5-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 159881200
[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-5-yl] hydrogen sulfate
CID 78119649
[(2R,3S)-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-yl] 3,5-bis(phenylmethoxy)benzoate
CID 87678495
(2R,3R)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol
CID 102452219
[(2S,3R)-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-yl] 4-hydroxycyclohexane-1-carboxylate
CID 166479692
[(2R,3R)-3,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-5-yl] hydrogen sulfate
CID 71579213
(2R,3S)-8-[(2R,3S,4R)-2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-ol
CID 46242655

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3,7-diol?
The IUPAC name of 5-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3,7-diol (CID 146270563) is 5-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3,7-diol.
What is the SMILES notation for 5-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3,7-diol?
The canonical SMILES for 5-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3,7-diol is COc1cc(O)cc2c1CC(O)C(c1cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c1)O2.
What is the InChIKey of 5-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3,7-diol?
The InChIKey is BJDGQNSYWHHGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34O7/c1-40-32-19-29(38)20-33-30(32)21-31(39)36(44-33)28-17-34(41-22-25-11-5-2-6-12-25)37(43-24-27-15-9-4-10-16-27)35(18-28)42-23-26-13-7-3-8-14-26/h2-20,31,36,38-39H,21-24H2,1H3.
What are the key properties of 5-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3,7-diol?
5-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3,7-diol has a molecular weight of 590.67 g/mol, XLogP of 7.17, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3,7-diol is sourced from PubChem (CID 146270563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).