4-phenylbutyl hypochlorite

C10H13ClO — CID 165357420

IUPAC4-phenylbutyl hypochlorite
SMILESClOCCCCc1ccccc1
InChIInChI=1S/C10H13ClO/c11-12-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyURXKZHNKTTXWLO-UHFFFAOYSA-N
MW184.67 g/mol
LogP3.18
Rot. Bonds5

About 4-phenylbutyl hypochlorite

4-phenylbutyl hypochlorite (PubChem CID 165357420) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 4-phenylbutyl hypochlorite.

Molecular Properties

Compound Name4-phenylbutyl hypochlorite
PubChem CID165357420
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name4-phenylbutyl hypochlorite
SMILESClOCCCCc1ccccc1
InChIInChI=1S/C10H13ClO/c11-12-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyURXKZHNKTTXWLO-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-phenylbutylbenzene
CID 141301927
8-(8-phenyloctoxy)octylbenzene
CID 56628536
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
4-phenylbutyl cyanate
CID 118338492
4-[(2-methylpropan-2-yl)oxy]butylbenzene
CID 14937175
hydroxyazanium;4-phenylbutoxyazanium;dichloride
CID 22075348
7-methoxyheptylbenzene
CID 54276867
6-ethoxyhexylbenzene
CID 54300935
CID 159131095
CID 159131095
1,4-bis(3-phenylpropyl)benzene
CID 59467322
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301

Frequently Asked Questions

What is the IUPAC name of 4-phenylbutyl hypochlorite?
The IUPAC name of 4-phenylbutyl hypochlorite (CID 165357420) is 4-phenylbutyl hypochlorite.
What is the SMILES notation for 4-phenylbutyl hypochlorite?
The canonical SMILES for 4-phenylbutyl hypochlorite is ClOCCCCc1ccccc1.
What is the InChIKey of 4-phenylbutyl hypochlorite?
The InChIKey is URXKZHNKTTXWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c11-12-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2.
What are the key properties of 4-phenylbutyl hypochlorite?
4-phenylbutyl hypochlorite has a molecular weight of 184.67 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylbutyl hypochlorite is sourced from PubChem (CID 165357420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).