3-(5-bromo-2-phenylphenyl)but-2-en-1-ol

C16H15BrO — CID 91187120

IUPAC3-(5-bromo-2-phenylphenyl)but-2-en-1-ol
SMILESCC(=CCO)c1cc(Br)ccc1-c1ccccc1
InChIInChI=1S/C16H15BrO/c1-12(9-10-18)16-11-14(17)7-8-15(16)13-5-3-2-4-6-13/h2-9,11,18H,10H2,1H3
InChIKeyYVOVBAGPHNESPG-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.51
Rot. Bonds3

About 3-(5-bromo-2-phenylphenyl)but-2-en-1-ol

3-(5-bromo-2-phenylphenyl)but-2-en-1-ol (PubChem CID 91187120) has the molecular formula C16H15BrO and a molecular weight of 303.20 g/mol. Its IUPAC name is 3-(5-bromo-2-phenylphenyl)but-2-en-1-ol.

Molecular Properties

Compound Name3-(5-bromo-2-phenylphenyl)but-2-en-1-ol
PubChem CID91187120
Molecular FormulaC16H15BrO
Molecular Weight303.20 g/mol
Exact Mass302.03
IUPAC Name3-(5-bromo-2-phenylphenyl)but-2-en-1-ol
SMILESCC(=CCO)c1cc(Br)ccc1-c1ccccc1
InChIInChI=1S/C16H15BrO/c1-12(9-10-18)16-11-14(17)7-8-15(16)13-5-3-2-4-6-13/h2-9,11,18H,10H2,1H3
InChIKeyYVOVBAGPHNESPG-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2E)-3-(4-bromophenyl)prop-2-en-1-ol
CID 11183465
(4-Bromo-2-methylphenyl)methanol
CID 22280088
(5-Bromo-2-methylphenyl)methanol
CID 12993770
4-(4-Bromophenyl)but-3-en-2-ol
CID 12045295
[4-Bromo-2-[[2-(hydroxymethyl)phenyl]methyl]phenyl]methanol
CID 11278213
(Z)-3-(4-bromophenyl)prop-2-en-1-ol
CID 44138446
4,4'-Dibromo-2,2'-bis-hydroxymethyl-biphenyl
CID 11372175
(Z)-3-(4-bromophenyl)but-2-en-1-ol
CID 22557605
(E)-3-(3-bromophenyl)-but-2-en-1-ol
CID 59305352
(E)-3-(4-bromophenyl)but-2-en-1-ol
CID 69361278
3-(3-Bromo-2-methylphenyl)prop-2-en-1-ol
CID 134852489
(E)-3-(4-bromophenyl)-3-(4-trifluoromethylphenyl)-prop-2-en-1-ol
CID 19261649

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-phenylphenyl)but-2-en-1-ol?
The IUPAC name of 3-(5-bromo-2-phenylphenyl)but-2-en-1-ol (CID 91187120) is 3-(5-bromo-2-phenylphenyl)but-2-en-1-ol.
What is the SMILES notation for 3-(5-bromo-2-phenylphenyl)but-2-en-1-ol?
The canonical SMILES for 3-(5-bromo-2-phenylphenyl)but-2-en-1-ol is CC(=CCO)c1cc(Br)ccc1-c1ccccc1.
What is the InChIKey of 3-(5-bromo-2-phenylphenyl)but-2-en-1-ol?
The InChIKey is YVOVBAGPHNESPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO/c1-12(9-10-18)16-11-14(17)7-8-15(16)13-5-3-2-4-6-13/h2-9,11,18H,10H2,1H3.
What are the key properties of 3-(5-bromo-2-phenylphenyl)but-2-en-1-ol?
3-(5-bromo-2-phenylphenyl)but-2-en-1-ol has a molecular weight of 303.20 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-phenylphenyl)but-2-en-1-ol is sourced from PubChem (CID 91187120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).