(5-bromo-5-cyclopropylpentoxy)benzene

C14H19BrO — CID 63470935

IUPAC(5-bromo-5-cyclopropylpentoxy)benzene
SMILESBrC(CCCCOc1ccccc1)C1CC1
InChIInChI=1S/C14H19BrO/c15-14(12-9-10-12)8-4-5-11-16-13-6-2-1-3-7-13/h1-3,6-7,12,14H,4-5,8-11H2
InChIKeySWHQFYYKFAZISV-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.41
Rot. Bonds7

About (5-bromo-5-cyclopropylpentoxy)benzene

(5-bromo-5-cyclopropylpentoxy)benzene (PubChem CID 63470935) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is (5-bromo-5-cyclopropylpentoxy)benzene.

Molecular Properties

Compound Name(5-bromo-5-cyclopropylpentoxy)benzene
PubChem CID63470935
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name(5-bromo-5-cyclopropylpentoxy)benzene
SMILESBrC(CCCCOc1ccccc1)C1CC1
InChIInChI=1S/C14H19BrO/c15-14(12-9-10-12)8-4-5-11-16-13-6-2-1-3-7-13/h1-3,6-7,12,14H,4-5,8-11H2
InChIKeySWHQFYYKFAZISV-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.41
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

5,6-dibromohexoxybenzene
CID 91189511
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
7,7-dichloroheptoxybenzene
CID 90974620
4-(4-ethylcyclohexyl)butoxybenzene
CID 144750158
1-cyclopropyl-2-(3-phenoxypropylamino)ethanol
CID 55172175
6-phenoxyhexyl(triphenyl)phosphanium
CID 71515133
1-cycloheptyl-3-phenoxypropan-1-ol
CID 82931193
(2R)-2-amino-7-phenoxyheptane-1-thiol
CID 87875923
10-methyldodecoxybenzene
CID 143389992
6-ethenyloct-7-enoxybenzene
CID 66961410
(4-bromo-5-methoxypentoxy)benzene
CID 62320030
3-(2-chloro-5-propan-2-ylcyclohexyl)propoxybenzene
CID 63471491

Frequently Asked Questions

What is the IUPAC name of (5-bromo-5-cyclopropylpentoxy)benzene?
The IUPAC name of (5-bromo-5-cyclopropylpentoxy)benzene (CID 63470935) is (5-bromo-5-cyclopropylpentoxy)benzene.
What is the SMILES notation for (5-bromo-5-cyclopropylpentoxy)benzene?
The canonical SMILES for (5-bromo-5-cyclopropylpentoxy)benzene is BrC(CCCCOc1ccccc1)C1CC1.
What is the InChIKey of (5-bromo-5-cyclopropylpentoxy)benzene?
The InChIKey is SWHQFYYKFAZISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c15-14(12-9-10-12)8-4-5-11-16-13-6-2-1-3-7-13/h1-3,6-7,12,14H,4-5,8-11H2.
What are the key properties of (5-bromo-5-cyclopropylpentoxy)benzene?
(5-bromo-5-cyclopropylpentoxy)benzene has a molecular weight of 283.21 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-5-cyclopropylpentoxy)benzene is sourced from PubChem (CID 63470935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).