2-[4-(2-methylpropyl)phenyl]propyl hypochlorite

C13H19ClO — CID 70617682

IUPAC2-[4-(2-methylpropyl)phenyl]propyl hypochlorite
SMILESCC(C)Cc1ccc(C(C)COCl)cc1
InChIInChI=1S/C13H19ClO/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-15-14/h4-7,10-11H,8-9H2,1-3H3
InChIKeyMNFLUKOUKFROSD-UHFFFAOYSA-N
MW226.75 g/mol
LogP4.16
Rot. Bonds5

About 2-[4-(2-methylpropyl)phenyl]propyl hypochlorite

2-[4-(2-methylpropyl)phenyl]propyl hypochlorite (PubChem CID 70617682) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]propyl hypochlorite.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenyl]propyl hypochlorite
PubChem CID70617682
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Name2-[4-(2-methylpropyl)phenyl]propyl hypochlorite
SMILESCC(C)Cc1ccc(C(C)COCl)cc1
InChIInChI=1S/C13H19ClO/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-15-14/h4-7,10-11H,8-9H2,1-3H3
InChIKeyMNFLUKOUKFROSD-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-methoxypropan-2-yl)-4-(2-methylpropyl)benzene
CID 134395846
1-[(2S)-1-bromopropan-2-yl]-4-(2-methylpropyl)benzene
CID 11043315
2-[4-(2-methylpropyl)phenyl]propyl acetate
CID 12905360
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
1-(1-chloropropyl)-4-(2-methylpropyl)benzene
CID 11745911
1-(1-chloro-3-methylbutyl)-4-(2-methylpropyl)benzene
CID 63430577
2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 16786344
1-(1-chloroethyl)-4-(2-methylpropyl)benzene;1-[4-(2-methylpropyl)phenyl]ethanol;hydrochloride
CID 159111103
1-[chloro-(4-methoxyphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63431171
sodium (2S)-2-[4-(2-methylpropyl)phenyl]propane-1-sulfonate
CID 139750072
2,2,2-trichloro-1-[4-(2-methylpropyl)phenyl]ethanol
CID 154190190

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)phenyl]propyl hypochlorite?
The IUPAC name of 2-[4-(2-methylpropyl)phenyl]propyl hypochlorite (CID 70617682) is 2-[4-(2-methylpropyl)phenyl]propyl hypochlorite.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenyl]propyl hypochlorite?
The canonical SMILES for 2-[4-(2-methylpropyl)phenyl]propyl hypochlorite is CC(C)Cc1ccc(C(C)COCl)cc1.
What is the InChIKey of 2-[4-(2-methylpropyl)phenyl]propyl hypochlorite?
The InChIKey is MNFLUKOUKFROSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-15-14/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 2-[4-(2-methylpropyl)phenyl]propyl hypochlorite?
2-[4-(2-methylpropyl)phenyl]propyl hypochlorite has a molecular weight of 226.75 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)phenyl]propyl hypochlorite is sourced from PubChem (CID 70617682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).