(2R,3S)-2-benzyl-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-ol

C25H24O2 — CID 56834337

IUPAC(2R,3S)-2-benzyl-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-ol
SMILESCOc1ccc([C@@H](C#Cc2ccccc2)[C@H](CO)Cc2ccccc2)cc1
InChIInChI=1S/C25H24O2/c1-27-24-15-13-22(14-16-24)25(17-12-20-8-4-2-5-9-20)23(19-26)18-21-10-6-3-7-11-21/h2-11,13-16,23,25-26H,18-19H2,1H3/t23-,25+/m0/s1
InChIKeyABKBFGJKAJIING-UKILVPOCSA-N
MW356.47 g/mol
LogP4.68
Rot. Bonds6

About (2R,3S)-2-benzyl-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-ol

(2R,3S)-2-benzyl-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-ol (PubChem CID 56834337) has the molecular formula C25H24O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (2R,3S)-2-benzyl-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-ol.

Molecular Properties

Compound Name(2R,3S)-2-benzyl-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-ol
PubChem CID56834337
Molecular FormulaC25H24O2
Molecular Weight356.47 g/mol
Exact Mass356.18
IUPAC Name(2R,3S)-2-benzyl-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-ol
SMILESCOc1ccc([C@@H](C#Cc2ccccc2)[C@H](CO)Cc2ccccc2)cc1
InChIInChI=1S/C25H24O2/c1-27-24-15-13-22(14-16-24)25(17-12-20-8-4-2-5-9-20)23(19-26)18-21-10-6-3-7-11-21/h2-11,13-16,23,25-26H,18-19H2,1H3/t23-,25+/m0/s1
InChIKeyABKBFGJKAJIING-UKILVPOCSA-N
XLogP4.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-(4-phenylbut-3-yn-2-yl)benzene
CID 53349236
(3R)-1-(2-aminophenyl)-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-one
CID 141145619
4-(4-methoxyphenyl)-N-methyl-1-(4-phenylmethoxyphenyl)but-3-yn-2-amine
CID 126744122
1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol
CID 135063762
2-[1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]-1-(2-methylphenyl)-3-phenylpropane-1,3-dione
CID 102389634
(1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol
CID 171267031
2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol
CID 62722209
[(2S)-1-[(1S)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]pyrrolidin-2-yl]methanol
CID 138979034
1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine
CID 24838118
1-methoxy-4-(1-nitroso-2-phenylethyl)benzene
CID 91063046
(2R)-2-benzyl-3-methylpentan-1-ol
CID 15214035
2-(4-methoxyphenyl)ethynyl-triphenylphosphanium
CID 23415442

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-benzyl-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-ol?
The IUPAC name of (2R,3S)-2-benzyl-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-ol (CID 56834337) is (2R,3S)-2-benzyl-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-ol.
What is the SMILES notation for (2R,3S)-2-benzyl-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-ol?
The canonical SMILES for (2R,3S)-2-benzyl-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-ol is COc1ccc([C@@H](C#Cc2ccccc2)[C@H](CO)Cc2ccccc2)cc1.
What is the InChIKey of (2R,3S)-2-benzyl-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-ol?
The InChIKey is ABKBFGJKAJIING-UKILVPOCSA-N. The full InChI is InChI=1S/C25H24O2/c1-27-24-15-13-22(14-16-24)25(17-12-20-8-4-2-5-9-20)23(19-26)18-21-10-6-3-7-11-21/h2-11,13-16,23,25-26H,18-19H2,1H3/t23-,25+/m0/s1.
What are the key properties of (2R,3S)-2-benzyl-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-ol?
(2R,3S)-2-benzyl-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-ol has a molecular weight of 356.47 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-benzyl-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-ol is sourced from PubChem (CID 56834337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).