(7R)-7-(4-bromophenyl)-4-(4-fluorophenyl)oct-1-en-4-ol

C20H22BrFO — CID 58246429

IUPAC(7R)-7-(4-bromophenyl)-4-(4-fluorophenyl)oct-1-en-4-ol
SMILESC=CCC(O)(CC[C@@H](C)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H22BrFO/c1-3-13-20(23,17-6-10-19(22)11-7-17)14-12-15(2)16-4-8-18(21)9-5-16/h3-11,15,23H,1,12-14H2,2H3/t15-,20?/m1/s1
InChIKeyZIJZMPOLDLGZCP-IWPPFLRJSA-N
MW377.30 g/mol
LogP5.94
Rot. Bonds7

About (7R)-7-(4-bromophenyl)-4-(4-fluorophenyl)oct-1-en-4-ol

(7R)-7-(4-bromophenyl)-4-(4-fluorophenyl)oct-1-en-4-ol (PubChem CID 58246429) has the molecular formula C20H22BrFO and a molecular weight of 377.30 g/mol. Its IUPAC name is (7R)-7-(4-bromophenyl)-4-(4-fluorophenyl)oct-1-en-4-ol.

Molecular Properties

Compound Name(7R)-7-(4-bromophenyl)-4-(4-fluorophenyl)oct-1-en-4-ol
PubChem CID58246429
Molecular FormulaC20H22BrFO
Molecular Weight377.30 g/mol
Exact Mass376.08
IUPAC Name(7R)-7-(4-bromophenyl)-4-(4-fluorophenyl)oct-1-en-4-ol
SMILESC=CCC(O)(CC[C@@H](C)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H22BrFO/c1-3-13-20(23,17-6-10-19(22)11-7-17)14-12-15(2)16-4-8-18(21)9-5-16/h3-11,15,23H,1,12-14H2,2H3/t15-,20?/m1/s1
InChIKeyZIJZMPOLDLGZCP-IWPPFLRJSA-N
XLogP5.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.30
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

p-Bromobenzhydryl alcohol
CID 98221
2-(2-Bromophenyl)propan-2-ol
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CID 4152948
2-(4-Bromophenyl)propan-2-ol
CID 12681920
1-(4-Bromophenyl)-2-phenylethan-1-ol
CID 10858776
4-Bromo-alpha-cyclopropyl-alpha-methylbenzyl alcohol
CID 91987
2-(4-Bromophenyl)-4-ethylhexane-2,4-diol
CID 30497
2,4-Pentanediol, 2-(p-bromophenyl)-4-methyl-
CID 210211
(r)-(4-Bromophenyl)(phenyl)methanol
CID 778573
2-(4-Bromophenyl)pent-4-en-2-ol
CID 11459122
1-(4-Bromophenyl)cyclopropan-1-ol
CID 13719373
2-(4-Bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 23233570

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(4-bromophenyl)-4-(4-fluorophenyl)oct-1-en-4-ol?
The IUPAC name of (7R)-7-(4-bromophenyl)-4-(4-fluorophenyl)oct-1-en-4-ol (CID 58246429) is (7R)-7-(4-bromophenyl)-4-(4-fluorophenyl)oct-1-en-4-ol.
What is the SMILES notation for (7R)-7-(4-bromophenyl)-4-(4-fluorophenyl)oct-1-en-4-ol?
The canonical SMILES for (7R)-7-(4-bromophenyl)-4-(4-fluorophenyl)oct-1-en-4-ol is C=CCC(O)(CC[C@@H](C)c1ccc(Br)cc1)c1ccc(F)cc1.
What is the InChIKey of (7R)-7-(4-bromophenyl)-4-(4-fluorophenyl)oct-1-en-4-ol?
The InChIKey is ZIJZMPOLDLGZCP-IWPPFLRJSA-N. The full InChI is InChI=1S/C20H22BrFO/c1-3-13-20(23,17-6-10-19(22)11-7-17)14-12-15(2)16-4-8-18(21)9-5-16/h3-11,15,23H,1,12-14H2,2H3/t15-,20?/m1/s1.
What are the key properties of (7R)-7-(4-bromophenyl)-4-(4-fluorophenyl)oct-1-en-4-ol?
(7R)-7-(4-bromophenyl)-4-(4-fluorophenyl)oct-1-en-4-ol has a molecular weight of 377.30 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(4-bromophenyl)-4-(4-fluorophenyl)oct-1-en-4-ol is sourced from PubChem (CID 58246429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).