(4-propylphenyl) hypochlorite

C9H11ClO — CID 175330115

IUPAC(4-propylphenyl) hypochlorite
SMILESCCCc1ccc(OCl)cc1
InChIInChI=1S/C9H11ClO/c1-2-3-8-4-6-9(11-10)7-5-8/h4-7H,2-3H2,1H3
InChIKeyNOXXRFFNWXQWSA-UHFFFAOYSA-N
MW170.64 g/mol
LogP3.17
Rot. Bonds3

About (4-propylphenyl) hypochlorite

(4-propylphenyl) hypochlorite (PubChem CID 175330115) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is (4-propylphenyl) hypochlorite.

Molecular Properties

Compound Name(4-propylphenyl) hypochlorite
PubChem CID175330115
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name(4-propylphenyl) hypochlorite
SMILESCCCc1ccc(OCl)cc1
InChIInChI=1S/C9H11ClO/c1-2-3-8-4-6-9(11-10)7-5-8/h4-7H,2-3H2,1H3
InChIKeyNOXXRFFNWXQWSA-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethanamine;1-methoxy-4-propylbenzene
CID 19382800
ethane;1-methoxy-4-propylbenzene
CID 142085762
1-methoxy-4-[(4-propylphenyl)methyl]benzene
CID 67608407
1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene
CID 19097569
(4-propylphenyl)sulfanyl hypochlorite
CID 143539477
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene
CID 167637922
1-propyl-4-[2-[2-(4-propylphenyl)ethylperoxy]ethyl]benzene
CID 174424801
1-nonoxy-4-propylbenzene
CID 118632119
1-prop-1-enoxy-4-propylbenzene
CID 172744984
1-(3-methylbutan-2-yloxy)-4-propylbenzene
CID 147712786
3-methyl-2-(4-propylphenoxy)butan-1-amine
CID 62548251

Frequently Asked Questions

What is the IUPAC name of (4-propylphenyl) hypochlorite?
The IUPAC name of (4-propylphenyl) hypochlorite (CID 175330115) is (4-propylphenyl) hypochlorite.
What is the SMILES notation for (4-propylphenyl) hypochlorite?
The canonical SMILES for (4-propylphenyl) hypochlorite is CCCc1ccc(OCl)cc1.
What is the InChIKey of (4-propylphenyl) hypochlorite?
The InChIKey is NOXXRFFNWXQWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO/c1-2-3-8-4-6-9(11-10)7-5-8/h4-7H,2-3H2,1H3.
What are the key properties of (4-propylphenyl) hypochlorite?
(4-propylphenyl) hypochlorite has a molecular weight of 170.64 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylphenyl) hypochlorite is sourced from PubChem (CID 175330115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).