(1R)-1-(4-bromophenyl)-4-naphthalen-1-ylbut-3-yn-1-ol

C20H15BrO — CID 155931548

IUPAC(1R)-1-(4-bromophenyl)-4-naphthalen-1-ylbut-3-yn-1-ol
SMILESO[C@H](CC#Cc1cccc2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C20H15BrO/c21-18-13-11-17(12-14-18)20(22)10-4-8-16-7-3-6-15-5-1-2-9-19(15)16/h1-3,5-7,9,11-14,20,22H,10H2/t20-/m1/s1
InChIKeyWNLKYHXESYTCPP-HXUWFJFHSA-N
MW351.24 g/mol
LogP5.08
Rot. Bonds2

About (1R)-1-(4-bromophenyl)-4-naphthalen-1-ylbut-3-yn-1-ol

(1R)-1-(4-bromophenyl)-4-naphthalen-1-ylbut-3-yn-1-ol (PubChem CID 155931548) has the molecular formula C20H15BrO and a molecular weight of 351.24 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-4-naphthalen-1-ylbut-3-yn-1-ol.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-4-naphthalen-1-ylbut-3-yn-1-ol
PubChem CID155931548
Molecular FormulaC20H15BrO
Molecular Weight351.24 g/mol
Exact Mass350.03
IUPAC Name(1R)-1-(4-bromophenyl)-4-naphthalen-1-ylbut-3-yn-1-ol
SMILESO[C@H](CC#Cc1cccc2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C20H15BrO/c21-18-13-11-17(12-14-18)20(22)10-4-8-16-7-3-6-15-5-1-2-9-19(15)16/h1-3,5-7,9,11-14,20,22H,10H2/t20-/m1/s1
InChIKeyWNLKYHXESYTCPP-HXUWFJFHSA-N
XLogP5.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.24
LogP ≤ 55.08
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

Bromadiolone metabolite Unk 1
CID 139595396
Naphthalen-1-yl(phenyl)methanol
CID 226163
(3-Bromonaphthalen-2-yl)methanol
CID 264948
(8-Bromonaphthalen-1-yl)methanol
CID 2780087
1-Naphthalenol, 3-(4'-bromo(1,1'-biphenyl)-4-yl)-1,2,3,4-tetrahydro-
CID 92048
7-Bromo-2-naphthalenemethanol
CID 22240133
2-(3-Bicyclo[3.2.2]nonanyl)-1-(6-bromophenanthren-9-yl)ethanol
CID 90669669
4'-Bromo-alpha-(phenylmethyl)[1,1'-biphenyl]-4-methanol
CID 108438
(2S)-5-[(4-bromophenyl)methoxy]-1,1,1-trifluoro-5-methyl-2-naphthalen-2-ylhex-3-yn-2-ol
CID 139037909
(1S,2R)-1-(6-bromonaphthalen-2-yl)-2-fluoro-2-(trifluoromethyl)but-3-en-1-ol
CID 165415767
3-Naphthalen-1-yl-1-phenylpropan-1-ol
CID 13425372
(1R,2S)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol
CID 25068462

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-4-naphthalen-1-ylbut-3-yn-1-ol?
The IUPAC name of (1R)-1-(4-bromophenyl)-4-naphthalen-1-ylbut-3-yn-1-ol (CID 155931548) is (1R)-1-(4-bromophenyl)-4-naphthalen-1-ylbut-3-yn-1-ol.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-4-naphthalen-1-ylbut-3-yn-1-ol?
The canonical SMILES for (1R)-1-(4-bromophenyl)-4-naphthalen-1-ylbut-3-yn-1-ol is O[C@H](CC#Cc1cccc2ccccc12)c1ccc(Br)cc1.
What is the InChIKey of (1R)-1-(4-bromophenyl)-4-naphthalen-1-ylbut-3-yn-1-ol?
The InChIKey is WNLKYHXESYTCPP-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H15BrO/c21-18-13-11-17(12-14-18)20(22)10-4-8-16-7-3-6-15-5-1-2-9-19(15)16/h1-3,5-7,9,11-14,20,22H,10H2/t20-/m1/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-4-naphthalen-1-ylbut-3-yn-1-ol?
(1R)-1-(4-bromophenyl)-4-naphthalen-1-ylbut-3-yn-1-ol has a molecular weight of 351.24 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)-4-naphthalen-1-ylbut-3-yn-1-ol is sourced from PubChem (CID 155931548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).