(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

C81H74O10 — CID 159881200

IUPAC(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
SMILESCc1cc(OCc2ccccc2)c2c(c1)O[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)[C@@H](O)C2.Cc1cc(OCc2ccccc2)c2c(c1)O[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)[C@@H](OCc1ccccc1)C2
InChIInChI=1S/C44H40O5.C37H34O5/c1-32-24-40(46-29-34-16-8-3-9-17-34)38-27-43(48-31-36-20-12-5-13-21-36)44(49-41(38)25-32)37-22-23-39(45-28-33-14-6-2-7-15-33)42(26-37)47-30-35-18-10-4-11-19-35;1-26-19-34(40-24-28-13-7-3-8-14-28)31-22-32(38)37(42-35(31)20-26)30-17-18-33(39-23-27-11-5-2-6-12-27)36(21-30)41-25-29-15-9-4-10-16-29/h2-26,43-44H,27-31H2,1H3;2-21,32,37-38H,22-25H2,1H3/t43-,44+;32-,37+/m00/s1
InChIKeyNTNUWMTXDVWWOF-BEBCBRQHSA-N
MW1207.47 g/mol
LogP17.76
Rot. Bonds23

About (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

(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 (PubChem CID 159881200) has the molecular formula C81H74O10 and a molecular weight of 1207.47 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID159881200
Molecular FormulaC81H74O10
Molecular Weight1207.47 g/mol
Exact Mass1206.53
IUPAC Name(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
SMILESCc1cc(OCc2ccccc2)c2c(c1)O[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)[C@@H](O)C2.Cc1cc(OCc2ccccc2)c2c(c1)O[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)[C@@H](OCc1ccccc1)C2
InChIInChI=1S/C44H40O5.C37H34O5/c1-32-24-40(46-29-34-16-8-3-9-17-34)38-27-43(48-31-36-20-12-5-13-21-36)44(49-41(38)25-32)37-22-23-39(45-28-33-14-6-2-7-15-33)42(26-37)47-30-35-18-10-4-11-19-35;1-26-19-34(40-24-28-13-7-3-8-14-28)31-22-32(38)37(42-35(31)20-26)30-17-18-33(39-23-27-11-5-2-6-12-27)36(21-30)41-25-29-15-9-4-10-16-29/h2-26,43-44H,27-31H2,1H3;2-21,32,37-38H,22-25H2,1H3/t43-,44+;32-,37+/m00/s1
InChIKeyNTNUWMTXDVWWOF-BEBCBRQHSA-N
XLogP17.76
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001207.47
LogP ≤ 517.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc(OCc2ccccc2)c2c(c1)O[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)[C@@H](O)C2.Cc1cc(OCc2ccccc2)c2c(c1)O[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)[C@@H](OCc1ccccc1)C2.
What is the InChIKey of (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?
The InChIKey is NTNUWMTXDVWWOF-BEBCBRQHSA-N. The full InChI is InChI=1S/C44H40O5.C37H34O5/c1-32-24-40(46-29-34-16-8-3-9-17-34)38-27-43(48-31-36-20-12-5-13-21-36)44(49-41(38)25-32)37-22-23-39(45-28-33-14-6-2-7-15-33)42(26-37)47-30-35-18-10-4-11-19-35;1-26-19-34(40-24-28-13-7-3-8-14-28)31-22-32(38)37(42-35(31)20-26)30-17-18-33(39-23-27-11-5-2-6-12-27)36(21-30)41-25-29-15-9-4-10-16-29/h2-26,43-44H,27-31H2,1H3;2-21,32,37-38H,22-25H2,1H3/t43-,44+;32-,37+/m00/s1.
What are the key properties of (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?
(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 has a molecular weight of 1207.47 g/mol, XLogP of 17.76, 23 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 159881200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).