[(2S,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-yl]-phenylmethanol

C32H32O5 — CID 71726818

IUPAC[(2S,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-yl]-phenylmethanol
SMILESCOc1cc(OC)cc([C@@H]2C(C(O)c3ccccc3)c3cc(OC)cc(OC)c3[C@H]2c2ccccc2)c1
InChIInChI=1S/C32H32O5/c1-34-23-15-22(16-24(17-23)35-2)29-28(20-11-7-5-8-12-20)30-26(18-25(36-3)19-27(30)37-4)31(29)32(33)21-13-9-6-10-14-21/h5-19,28-29,31-33H,1-4H3/t28-,29-,31?,32?/m0/s1
InChIKeyMXYZGPQKJDSZDU-SYGBTZKXSA-N
MW496.60 g/mol
LogP6.47
Rot. Bonds8

About [(2S,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-yl]-phenylmethanol

[(2S,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-yl]-phenylmethanol (PubChem CID 71726818) has the molecular formula C32H32O5 and a molecular weight of 496.60 g/mol. Its IUPAC name is [(2S,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-yl]-phenylmethanol.

Molecular Properties

Compound Name[(2S,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-yl]-phenylmethanol
PubChem CID71726818
Molecular FormulaC32H32O5
Molecular Weight496.60 g/mol
Exact Mass496.22
IUPAC Name[(2S,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-yl]-phenylmethanol
SMILESCOc1cc(OC)cc([C@@H]2C(C(O)c3ccccc3)c3cc(OC)cc(OC)c3[C@H]2c2ccccc2)c1
InChIInChI=1S/C32H32O5/c1-34-23-15-22(16-24(17-23)35-2)29-28(20-11-7-5-8-12-20)30-26(18-25(36-3)19-27(30)37-4)31(29)32(33)21-13-9-6-10-14-21/h5-19,28-29,31-33H,1-4H3/t28-,29-,31?,32?/m0/s1
InChIKeyMXYZGPQKJDSZDU-SYGBTZKXSA-N
XLogP6.47
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.60
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methylsulfanyl]-2,3-dihydro-1H-indene
CID 53355287
3-[hydroxy(phenyl)methyl]-4-(4-methoxyphenyl)-5-phenylcyclopentane-1,2-dione
CID 91320218
(1S,2S,3S)-1-chloro-3-(3,5-dimethoxyphenyl)-4,6-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 89202386
(3aS,4R,8bS)-5,7-dimethoxy-4-phenyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan
CID 57342578
(1R,2R,3E)-3-benzylidene-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-phenyl-1,2-dihydroindene
CID 71726563
(1R,2S,3R)-2-(3,5-dihydroxyphenyl)-1-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1H-indene-4,6-diol
CID 138966900
(1R,2R,3Z)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-3-[(4-methoxyphenyl)methylidene]-1-phenyl-1,2-dihydroindene
CID 71654199
4-[1,3,6,8-tetramethoxy-10-(4-methoxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,3-a]inden-5-yl]benzaldehyde
CID 59611719
(2S,3S)-2-(3,5-dimethoxyphenyl)-3-phenyloxirane
CID 131844967
2-[bromo(phenyl)methyl]-1,3,5-trimethoxybenzene
CID 61095892
(2R,3R)-3-(3,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-4-methoxy-1-[(3-methoxy-4-methylphenyl)methylsulfanyl]-6-methyl-2,3-dihydro-1H-indene
CID 118516212
7,9-dimethoxy-4-methyl-6-phenyl-3,6-dihydro-2H-1,5,4-benzodioxazocine
CID 14195480

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-yl]-phenylmethanol?
The IUPAC name of [(2S,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-yl]-phenylmethanol (CID 71726818) is [(2S,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-yl]-phenylmethanol.
What is the SMILES notation for [(2S,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-yl]-phenylmethanol?
The canonical SMILES for [(2S,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-yl]-phenylmethanol is COc1cc(OC)cc([C@@H]2C(C(O)c3ccccc3)c3cc(OC)cc(OC)c3[C@H]2c2ccccc2)c1.
What is the InChIKey of [(2S,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-yl]-phenylmethanol?
The InChIKey is MXYZGPQKJDSZDU-SYGBTZKXSA-N. The full InChI is InChI=1S/C32H32O5/c1-34-23-15-22(16-24(17-23)35-2)29-28(20-11-7-5-8-12-20)30-26(18-25(36-3)19-27(30)37-4)31(29)32(33)21-13-9-6-10-14-21/h5-19,28-29,31-33H,1-4H3/t28-,29-,31?,32?/m0/s1.
What are the key properties of [(2S,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-yl]-phenylmethanol?
[(2S,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-yl]-phenylmethanol has a molecular weight of 496.60 g/mol, XLogP of 6.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-yl]-phenylmethanol is sourced from PubChem (CID 71726818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).