(2S)-2-naphthalen-2-yl-4-phenylbut-3-yn-2-ol

C20H16O — CID 40500418

IUPAC(2S)-2-naphthalen-2-yl-4-phenylbut-3-yn-2-ol
SMILESC[C@@](O)(C#Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H16O/c1-20(21,14-13-16-7-3-2-4-8-16)19-12-11-17-9-5-6-10-18(17)15-19/h2-12,15,21H,1H3/t20-/m1/s1
InChIKeyPLHNZUUAZILOLP-HXUWFJFHSA-N
MW272.35 g/mol
LogP4.10
Rot. Bonds1

About (2S)-2-naphthalen-2-yl-4-phenylbut-3-yn-2-ol

(2S)-2-naphthalen-2-yl-4-phenylbut-3-yn-2-ol (PubChem CID 40500418) has the molecular formula C20H16O and a molecular weight of 272.35 g/mol. Its IUPAC name is (2S)-2-naphthalen-2-yl-4-phenylbut-3-yn-2-ol.

Molecular Properties

Compound Name(2S)-2-naphthalen-2-yl-4-phenylbut-3-yn-2-ol
PubChem CID40500418
Molecular FormulaC20H16O
Molecular Weight272.35 g/mol
Exact Mass272.12
IUPAC Name(2S)-2-naphthalen-2-yl-4-phenylbut-3-yn-2-ol
SMILESC[C@@](O)(C#Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H16O/c1-20(21,14-13-16-7-3-2-4-8-16)19-12-11-17-9-5-6-10-18(17)15-19/h2-12,15,21H,1H3/t20-/m1/s1
InChIKeyPLHNZUUAZILOLP-HXUWFJFHSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(2,4-diphenylbut-3-yn-2-ol);platinum
CID 11061246
3-naphthalen-2-yl-1-phenylhept-6-en-1-yn-3-ol
CID 171060361
4-(6-methoxynaphthalen-2-yl)-2-phenylbut-3-yn-2-ol
CID 146003588
4-(4-methylsulfanylphenyl)-2-phenylbut-3-yn-2-ol
CID 146003701
trinaphthalen-2-ylmethanol
CID 10573628
(2R)-2-hydroxy-2-naphthalen-2-ylpropanal
CID 122375981
2-phenyl-4-(3,4,5-trifluorophenyl)but-3-yn-2-ol
CID 146003785
1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol
CID 2931271
2-amino-4-phenylbut-3-yn-2-ol
CID 143801475
(2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol
CID 94601218
(2R)-2-(2-bromophenyl)-4-phenylbut-3-yn-2-ol
CID 11289604
1-[4-(3-hydroxy-3-phenylbut-1-ynyl)phenyl]ethanone
CID 11184641

Frequently Asked Questions

What is the IUPAC name of (2S)-2-naphthalen-2-yl-4-phenylbut-3-yn-2-ol?
The IUPAC name of (2S)-2-naphthalen-2-yl-4-phenylbut-3-yn-2-ol (CID 40500418) is (2S)-2-naphthalen-2-yl-4-phenylbut-3-yn-2-ol.
What is the SMILES notation for (2S)-2-naphthalen-2-yl-4-phenylbut-3-yn-2-ol?
The canonical SMILES for (2S)-2-naphthalen-2-yl-4-phenylbut-3-yn-2-ol is C[C@@](O)(C#Cc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-2-naphthalen-2-yl-4-phenylbut-3-yn-2-ol?
The InChIKey is PLHNZUUAZILOLP-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H16O/c1-20(21,14-13-16-7-3-2-4-8-16)19-12-11-17-9-5-6-10-18(17)15-19/h2-12,15,21H,1H3/t20-/m1/s1.
What are the key properties of (2S)-2-naphthalen-2-yl-4-phenylbut-3-yn-2-ol?
(2S)-2-naphthalen-2-yl-4-phenylbut-3-yn-2-ol has a molecular weight of 272.35 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-naphthalen-2-yl-4-phenylbut-3-yn-2-ol is sourced from PubChem (CID 40500418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).