(1R)-1-[2-[(1R)-1-hydroxy-3-phenylprop-2-ynyl]phenyl]-3-phenylprop-2-yn-1-ol

C24H18O2 — CID 95988930

IUPAC(1R)-1-[2-[(1R)-1-hydroxy-3-phenylprop-2-ynyl]phenyl]-3-phenylprop-2-yn-1-ol
SMILESO[C@H](C#Cc1ccccc1)c1ccccc1[C@H](O)C#Cc1ccccc1
InChIInChI=1S/C24H18O2/c25-23(17-15-19-9-3-1-4-10-19)21-13-7-8-14-22(21)24(26)18-16-20-11-5-2-6-12-20/h1-14,23-26H/t23-,24-/m1/s1
InChIKeyDXQRJFBELMSSGG-DNQXCXABSA-N
MW338.41 g/mol
LogP3.86
Rot. Bonds2

About (1R)-1-[2-[(1R)-1-hydroxy-3-phenylprop-2-ynyl]phenyl]-3-phenylprop-2-yn-1-ol

(1R)-1-[2-[(1R)-1-hydroxy-3-phenylprop-2-ynyl]phenyl]-3-phenylprop-2-yn-1-ol (PubChem CID 95988930) has the molecular formula C24H18O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (1R)-1-[2-[(1R)-1-hydroxy-3-phenylprop-2-ynyl]phenyl]-3-phenylprop-2-yn-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-[(1R)-1-hydroxy-3-phenylprop-2-ynyl]phenyl]-3-phenylprop-2-yn-1-ol
PubChem CID95988930
Molecular FormulaC24H18O2
Molecular Weight338.41 g/mol
Exact Mass338.13
IUPAC Name(1R)-1-[2-[(1R)-1-hydroxy-3-phenylprop-2-ynyl]phenyl]-3-phenylprop-2-yn-1-ol
SMILESO[C@H](C#Cc1ccccc1)c1ccccc1[C@H](O)C#Cc1ccccc1
InChIInChI=1S/C24H18O2/c25-23(17-15-19-9-3-1-4-10-19)21-13-7-8-14-22(21)24(26)18-16-20-11-5-2-6-12-20/h1-14,23-26H/t23-,24-/m1/s1
InChIKeyDXQRJFBELMSSGG-DNQXCXABSA-N
XLogP3.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromophenyl)-3-phenylprop-2-yn-1-ol
CID 11957893
1-[2-(1-hydroxy-3-phenylprop-2-ynyl)-4,5-dimethoxyphenyl]-3-phenylprop-2-yn-1-ol
CID 102084118
1-[2-[2-(4-nitrophenyl)ethynyl]phenyl]-3-phenylprop-2-yn-1-ol
CID 12014341
1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-phenylprop-2-yn-1-ol
CID 135073993
(1S)-3-phenyl-1-thiophen-2-ylprop-2-yn-1-ol
CID 872569
4-(1-hydroxy-3-phenylprop-2-ynyl)benzoic acid
CID 19705966
(1S)-1-cyclopropyl-3-phenylprop-2-yn-1-ol
CID 130716301
(1S)-1-(2,4-dimethoxy-3-methylphenyl)-3-phenylprop-2-yn-1-ol
CID 101388609
1-naphthalen-1-yl-3-phenylprop-2-yn-1-ol;1-naphthalen-1-yl-3-phenylprop-2-yn-1-one
CID 164951391
1-(2,3-dimethoxy-4-nitrophenyl)-3-phenylprop-2-yn-1-ol
CID 67067891
1-naphthalen-1-yl-5-phenylpenta-2,4-diyn-1-ol
CID 101184195
(1S)-1-(furan-3-yl)-3-phenylprop-2-yn-1-ol
CID 11579298

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(1R)-1-hydroxy-3-phenylprop-2-ynyl]phenyl]-3-phenylprop-2-yn-1-ol?
The IUPAC name of (1R)-1-[2-[(1R)-1-hydroxy-3-phenylprop-2-ynyl]phenyl]-3-phenylprop-2-yn-1-ol (CID 95988930) is (1R)-1-[2-[(1R)-1-hydroxy-3-phenylprop-2-ynyl]phenyl]-3-phenylprop-2-yn-1-ol.
What is the SMILES notation for (1R)-1-[2-[(1R)-1-hydroxy-3-phenylprop-2-ynyl]phenyl]-3-phenylprop-2-yn-1-ol?
The canonical SMILES for (1R)-1-[2-[(1R)-1-hydroxy-3-phenylprop-2-ynyl]phenyl]-3-phenylprop-2-yn-1-ol is O[C@H](C#Cc1ccccc1)c1ccccc1[C@H](O)C#Cc1ccccc1.
What is the InChIKey of (1R)-1-[2-[(1R)-1-hydroxy-3-phenylprop-2-ynyl]phenyl]-3-phenylprop-2-yn-1-ol?
The InChIKey is DXQRJFBELMSSGG-DNQXCXABSA-N. The full InChI is InChI=1S/C24H18O2/c25-23(17-15-19-9-3-1-4-10-19)21-13-7-8-14-22(21)24(26)18-16-20-11-5-2-6-12-20/h1-14,23-26H/t23-,24-/m1/s1.
What are the key properties of (1R)-1-[2-[(1R)-1-hydroxy-3-phenylprop-2-ynyl]phenyl]-3-phenylprop-2-yn-1-ol?
(1R)-1-[2-[(1R)-1-hydroxy-3-phenylprop-2-ynyl]phenyl]-3-phenylprop-2-yn-1-ol has a molecular weight of 338.41 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(1R)-1-hydroxy-3-phenylprop-2-ynyl]phenyl]-3-phenylprop-2-yn-1-ol is sourced from PubChem (CID 95988930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).