1-(bromomethyl)-4-(6-phenylhept-6-enyl)benzene

C20H23Br — CID 68649273

IUPAC1-(bromomethyl)-4-(6-phenylhept-6-enyl)benzene
SMILESC=C(CCCCCc1ccc(CBr)cc1)c1ccccc1
InChIInChI=1S/C20H23Br/c1-17(20-10-6-3-7-11-20)8-4-2-5-9-18-12-14-19(16-21)15-13-18/h3,6-7,10-15H,1-2,4-5,8-9,16H2
InChIKeyLQJQIRXKLKKZGB-UHFFFAOYSA-N
MW343.31 g/mol
LogP6.40
Rot. Bonds8

About 1-(bromomethyl)-4-(6-phenylhept-6-enyl)benzene

1-(bromomethyl)-4-(6-phenylhept-6-enyl)benzene (PubChem CID 68649273) has the molecular formula C20H23Br and a molecular weight of 343.31 g/mol. Its IUPAC name is 1-(bromomethyl)-4-(6-phenylhept-6-enyl)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-4-(6-phenylhept-6-enyl)benzene
PubChem CID68649273
Molecular FormulaC20H23Br
Molecular Weight343.31 g/mol
Exact Mass342.10
IUPAC Name1-(bromomethyl)-4-(6-phenylhept-6-enyl)benzene
SMILESC=C(CCCCCc1ccc(CBr)cc1)c1ccccc1
InChIInChI=1S/C20H23Br/c1-17(20-10-6-3-7-11-20)8-4-2-5-9-18-12-14-19(16-21)15-13-18/h3,6-7,10-15H,1-2,4-5,8-9,16H2
InChIKeyLQJQIRXKLKKZGB-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.31
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-[2-[4-(8-phenyloct-1-en-2-yl)phenyl]ethyl]propane-1,3-diol
CID 89278572
1-[4-(3-phenylbut-3-enyl)phenyl]ethenamine
CID 142065127
1-(bromomethyl)-4-(5-phenoxypentyl)benzene
CID 14576783
18-methylnonadec-1-en-2-ylbenzene;12-methyltridec-1-en-2-ylbenzene
CID 173456642
CID 101454794
CID 101454794
2-methylidene-12-phenyldodecanoic acid
CID 54253232
1,1,1-trifluoro-8-phenylnon-8-en-2-one
CID 14435912
1,4-bis(8-bromooctyl)benzene
CID 19907449
1,9-diphenylnonan-5-one
CID 23467830
1-(bromomethyl)-4-(1,2,2-triphenylethenyl)benzene;ethane
CID 144540083
15-phenylpentadecanoic acid
CID 2737151
1-hex-1-en-2-yl-4-propylbenzene
CID 22166244

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-(6-phenylhept-6-enyl)benzene?
The IUPAC name of 1-(bromomethyl)-4-(6-phenylhept-6-enyl)benzene (CID 68649273) is 1-(bromomethyl)-4-(6-phenylhept-6-enyl)benzene.
What is the SMILES notation for 1-(bromomethyl)-4-(6-phenylhept-6-enyl)benzene?
The canonical SMILES for 1-(bromomethyl)-4-(6-phenylhept-6-enyl)benzene is C=C(CCCCCc1ccc(CBr)cc1)c1ccccc1.
What is the InChIKey of 1-(bromomethyl)-4-(6-phenylhept-6-enyl)benzene?
The InChIKey is LQJQIRXKLKKZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Br/c1-17(20-10-6-3-7-11-20)8-4-2-5-9-18-12-14-19(16-21)15-13-18/h3,6-7,10-15H,1-2,4-5,8-9,16H2.
What are the key properties of 1-(bromomethyl)-4-(6-phenylhept-6-enyl)benzene?
1-(bromomethyl)-4-(6-phenylhept-6-enyl)benzene has a molecular weight of 343.31 g/mol, XLogP of 6.40, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-(6-phenylhept-6-enyl)benzene is sourced from PubChem (CID 68649273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).