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

C43H38O7 — CID 14275083

IUPAC2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene-3,4-diol
SMILESOC1c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2OC(c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1O
InChIInChI=1S/C43H38O7/c44-41-40-38(49-29-33-19-11-4-12-20-33)24-35(46-26-30-13-5-1-6-14-30)25-39(40)50-43(42(41)45)34-21-22-36(47-27-31-15-7-2-8-16-31)37(23-34)48-28-32-17-9-3-10-18-32/h1-25,41-45H,26-29H2
InChIKeyQBYDZRUSARFBQM-UHFFFAOYSA-N
MW666.77 g/mol
LogP8.53
Rot. Bonds13

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

2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene-3,4-diol (PubChem CID 14275083) has the molecular formula C43H38O7 and a molecular weight of 666.77 g/mol. Its IUPAC name is 2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene-3,4-diol.

Molecular Properties

Compound Name2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene-3,4-diol
PubChem CID14275083
Molecular FormulaC43H38O7
Molecular Weight666.77 g/mol
Exact Mass666.26
IUPAC Name2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene-3,4-diol
SMILESOC1c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2OC(c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1O
InChIInChI=1S/C43H38O7/c44-41-40-38(49-29-33-19-11-4-12-20-33)24-35(46-26-30-13-5-1-6-14-30)25-39(40)50-43(42(41)45)34-21-22-36(47-27-31-15-7-2-8-16-31)37(23-34)48-28-32-17-9-3-10-18-32/h1-25,41-45H,26-29H2
InChIKeyQBYDZRUSARFBQM-UHFFFAOYSA-N
XLogP8.53
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.77
LogP ≤ 58.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(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
(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene
CID 11331634
(2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-2,3-dihydrochromen-4-one
CID 11377688
(2R,3S,4S)-2-[3,4-bis(phenylmethoxy)phenyl]-4-[(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromen-8-yl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene
CID 102464492
[4-(1,3-benzothiazol-2-ylsulfanyl)-2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-yl] acetate
CID 22052698
(2R,3R)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol
CID 102452219
[(2R,3R,4S)-2-[3,4-bis(phenylmethoxy)phenyl]-4-(2-ethoxyethoxy)-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-tris(phenylmethoxy)benzoate
CID 164670475
(2S,3S)-2-phenyl-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol
CID 67772487
(2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxy-3,4-dihydro-2H-chromene-3,7-diol
CID 134951203
(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-5-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 90393387
[(2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trimethoxybenzoate
CID 24827283
[(3S)-2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-yl] diethyl phosphate
CID 70518950

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene-3,4-diol?
The IUPAC name of 2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene-3,4-diol (CID 14275083) is 2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene-3,4-diol.
What is the SMILES notation for 2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene-3,4-diol?
The canonical SMILES for 2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene-3,4-diol is OC1c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2OC(c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1O.
What is the InChIKey of 2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene-3,4-diol?
The InChIKey is QBYDZRUSARFBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38O7/c44-41-40-38(49-29-33-19-11-4-12-20-33)24-35(46-26-30-13-5-1-6-14-30)25-39(40)50-43(42(41)45)34-21-22-36(47-27-31-15-7-2-8-16-31)37(23-34)48-28-32-17-9-3-10-18-32/h1-25,41-45H,26-29H2.
What are the key properties of 2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene-3,4-diol?
2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene-3,4-diol has a molecular weight of 666.77 g/mol, XLogP of 8.53, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene-3,4-diol is sourced from PubChem (CID 14275083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).