(4-methylphenyl)methyl hypochlorite

C8H9ClO — CID 174764062

IUPAC(4-methylphenyl)methyl hypochlorite
SMILESCc1ccc(COCl)cc1
InChIInChI=1S/C8H9ClO/c1-7-2-4-8(5-3-7)6-10-9/h2-5H,6H2,1H3
InChIKeyGTFNDGARBQNKMZ-UHFFFAOYSA-N
MW156.61 g/mol
LogP2.67
Rot. Bonds2

About (4-methylphenyl)methyl hypochlorite

(4-methylphenyl)methyl hypochlorite (PubChem CID 174764062) has the molecular formula C8H9ClO and a molecular weight of 156.61 g/mol. Its IUPAC name is (4-methylphenyl)methyl hypochlorite.

Molecular Properties

Compound Name(4-methylphenyl)methyl hypochlorite
PubChem CID174764062
Molecular FormulaC8H9ClO
Molecular Weight156.61 g/mol
Exact Mass156.03
IUPAC Name(4-methylphenyl)methyl hypochlorite
SMILESCc1ccc(COCl)cc1
InChIInChI=1S/C8H9ClO/c1-7-2-4-8(5-3-7)6-10-9/h2-5H,6H2,1H3
InChIKeyGTFNDGARBQNKMZ-UHFFFAOYSA-N
XLogP2.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.61
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 12709980
azane;1-(methoxymethyl)-4-methylbenzene
CID 175555359
methane;1-(methoxymethyl)-4-methylbenzene
CID 158294039
ethane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 144538467
1-(ethoxymethyl)-4-methylbenzene
CID 12727419
[4-(4-methylphenyl)phenyl]methyl cyanate
CID 170032720
1-(hydroperoxymethyl)-4-(4-methylphenyl)benzene
CID 20677048
trimethyl-[(4-methylphenyl)methoxy]silane
CID 13063937
1-(iodomethoxymethyl)-4-methylbenzene
CID 146521641
1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene
CID 22983698
1-(difluoromethoxymethyl)-4-methylbenzene
CID 162716622

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl hypochlorite?
The IUPAC name of (4-methylphenyl)methyl hypochlorite (CID 174764062) is (4-methylphenyl)methyl hypochlorite.
What is the SMILES notation for (4-methylphenyl)methyl hypochlorite?
The canonical SMILES for (4-methylphenyl)methyl hypochlorite is Cc1ccc(COCl)cc1.
What is the InChIKey of (4-methylphenyl)methyl hypochlorite?
The InChIKey is GTFNDGARBQNKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO/c1-7-2-4-8(5-3-7)6-10-9/h2-5H,6H2,1H3.
What are the key properties of (4-methylphenyl)methyl hypochlorite?
(4-methylphenyl)methyl hypochlorite has a molecular weight of 156.61 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl hypochlorite is sourced from PubChem (CID 174764062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).