(1-bromo-5-phenoxypentan-2-yl)benzene

C17H19BrO — CID 66042259

IUPAC(1-bromo-5-phenoxypentan-2-yl)benzene
SMILESBrCC(CCCOc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19BrO/c18-14-16(15-8-3-1-4-9-15)10-7-13-19-17-11-5-2-6-12-17/h1-6,8-9,11-12,16H,7,10,13-14H2
InChIKeyRINGRMFHZHAXMZ-UHFFFAOYSA-N
MW319.24 g/mol
LogP5.02
Rot. Bonds7

About (1-bromo-5-phenoxypentan-2-yl)benzene

(1-bromo-5-phenoxypentan-2-yl)benzene (PubChem CID 66042259) has the molecular formula C17H19BrO and a molecular weight of 319.24 g/mol. Its IUPAC name is (1-bromo-5-phenoxypentan-2-yl)benzene.

Molecular Properties

Compound Name(1-bromo-5-phenoxypentan-2-yl)benzene
PubChem CID66042259
Molecular FormulaC17H19BrO
Molecular Weight319.24 g/mol
Exact Mass318.06
IUPAC Name(1-bromo-5-phenoxypentan-2-yl)benzene
SMILESBrCC(CCCOc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19BrO/c18-14-16(15-8-3-1-4-9-15)10-7-13-19-17-11-5-2-6-12-17/h1-6,8-9,11-12,16H,7,10,13-14H2
InChIKeyRINGRMFHZHAXMZ-UHFFFAOYSA-N
XLogP5.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.24
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

6-phenoxy-2-phenylhexan-1-amine
CID 79015445
[1-bromo-5-(2-methoxyethoxy)pentan-2-yl]benzene
CID 103415412
5,6-dibromohexoxybenzene
CID 91189511
1-bromododecan-2-ylbenzene
CID 66043461
2-(4-methylphenyl)-5-phenoxypentan-1-ol
CID 79437004
2-(3-bromophenyl)-N-methyl-5-phenoxypentan-1-amine
CID 79430860
4-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline
CID 82138462
2-(2-bromophenyl)-5-phenoxypentan-1-amine
CID 79449306
1-bromo-3-[1-bromo-4-(4-bromophenoxy)butan-2-yl]benzene
CID 79430050
2-(3-bromopropoxy)ethoxybenzene
CID 43135436
(4-bromo-5-methoxypentoxy)benzene
CID 62320030
3-(3-phenoxypropyl)pentane-2,4-dione
CID 30842809

Frequently Asked Questions

What is the IUPAC name of (1-bromo-5-phenoxypentan-2-yl)benzene?
The IUPAC name of (1-bromo-5-phenoxypentan-2-yl)benzene (CID 66042259) is (1-bromo-5-phenoxypentan-2-yl)benzene.
What is the SMILES notation for (1-bromo-5-phenoxypentan-2-yl)benzene?
The canonical SMILES for (1-bromo-5-phenoxypentan-2-yl)benzene is BrCC(CCCOc1ccccc1)c1ccccc1.
What is the InChIKey of (1-bromo-5-phenoxypentan-2-yl)benzene?
The InChIKey is RINGRMFHZHAXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO/c18-14-16(15-8-3-1-4-9-15)10-7-13-19-17-11-5-2-6-12-17/h1-6,8-9,11-12,16H,7,10,13-14H2.
What are the key properties of (1-bromo-5-phenoxypentan-2-yl)benzene?
(1-bromo-5-phenoxypentan-2-yl)benzene has a molecular weight of 319.24 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-5-phenoxypentan-2-yl)benzene is sourced from PubChem (CID 66042259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).