(2S,3S)-2-phenyl-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol

C29H26O4 — CID 67772487

IUPAC(2S,3S)-2-phenyl-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol
SMILESO[C@H]1Cc2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[C@H]1c1ccccc1
InChIInChI=1S/C29H26O4/c30-26-18-25-27(32-20-22-12-6-2-7-13-22)16-24(31-19-21-10-4-1-5-11-21)17-28(25)33-29(26)23-14-8-3-9-15-23/h1-17,26,29-30H,18-20H2/t26-,29-/m0/s1
InChIKeyPPSMSJBSJPVVAD-WNJJXGMVSA-N
MW438.52 g/mol
LogP5.88
Rot. Bonds7

About (2S,3S)-2-phenyl-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol

(2S,3S)-2-phenyl-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol (PubChem CID 67772487) has the molecular formula C29H26O4 and a molecular weight of 438.52 g/mol. Its IUPAC name is (2S,3S)-2-phenyl-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-phenyl-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol
PubChem CID67772487
Molecular FormulaC29H26O4
Molecular Weight438.52 g/mol
Exact Mass438.18
IUPAC Name(2S,3S)-2-phenyl-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol
SMILESO[C@H]1Cc2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[C@H]1c1ccccc1
InChIInChI=1S/C29H26O4/c30-26-18-25-27(32-20-22-12-6-2-7-13-22)16-24(31-19-21-10-4-1-5-11-21)17-28(25)33-29(26)23-14-8-3-9-15-23/h1-17,26,29-30H,18-20H2/t26-,29-/m0/s1
InChIKeyPPSMSJBSJPVVAD-WNJJXGMVSA-N
XLogP5.88
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.52
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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)-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,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene
CID 11331634
5-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3,7-diol
CID 146270563
[(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
[(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,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
(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
benzyl [(3R)-2-[3,4-bis(phenylmethoxycarbonyloxy)phenyl]-3-hydroxy-5-phenylmethoxycarbonyloxy-3,4-dihydro-2H-chromen-7-yl] carbonate
CID 118886888
2-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 146393584
[(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

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-phenyl-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of (2S,3S)-2-phenyl-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol (CID 67772487) is (2S,3S)-2-phenyl-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for (2S,3S)-2-phenyl-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for (2S,3S)-2-phenyl-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol is O[C@H]1Cc2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-2-phenyl-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is PPSMSJBSJPVVAD-WNJJXGMVSA-N. The full InChI is InChI=1S/C29H26O4/c30-26-18-25-27(32-20-22-12-6-2-7-13-22)16-24(31-19-21-10-4-1-5-11-21)17-28(25)33-29(26)23-14-8-3-9-15-23/h1-17,26,29-30H,18-20H2/t26-,29-/m0/s1.
What are the key properties of (2S,3S)-2-phenyl-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol?
(2S,3S)-2-phenyl-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 438.52 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-phenyl-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 67772487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).