[2-(2,2,4,4-tetramethylpentan-3-yl)phenyl] hypochlorite

C15H23ClO — CID 139804425

IUPAC[2-(2,2,4,4-tetramethylpentan-3-yl)phenyl] hypochlorite
SMILESCC(C)(C)C(c1ccccc1OCl)C(C)(C)C
InChIInChI=1S/C15H23ClO/c1-14(2,3)13(15(4,5)6)11-9-7-8-10-12(11)17-16/h7-10,13H,1-6H3
InChIKeyMRIHOJVEKMJAHB-UHFFFAOYSA-N
MW254.80 g/mol
LogP5.39
Rot. Bonds2

About [2-(2,2,4,4-tetramethylpentan-3-yl)phenyl] hypochlorite

[2-(2,2,4,4-tetramethylpentan-3-yl)phenyl] hypochlorite (PubChem CID 139804425) has the molecular formula C15H23ClO and a molecular weight of 254.80 g/mol. Its IUPAC name is [2-(2,2,4,4-tetramethylpentan-3-yl)phenyl] hypochlorite.

Molecular Properties

Compound Name[2-(2,2,4,4-tetramethylpentan-3-yl)phenyl] hypochlorite
PubChem CID139804425
Molecular FormulaC15H23ClO
Molecular Weight254.80 g/mol
Exact Mass254.14
IUPAC Name[2-(2,2,4,4-tetramethylpentan-3-yl)phenyl] hypochlorite
SMILESCC(C)(C)C(c1ccccc1OCl)C(C)(C)C
InChIInChI=1S/C15H23ClO/c1-14(2,3)13(15(4,5)6)11-9-7-8-10-12(11)17-16/h7-10,13H,1-6H3
InChIKeyMRIHOJVEKMJAHB-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.80
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene
CID 173474378
2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol
CID 22486900
(1S,2S)-N,N'-ditert-butyl-1,2-bis[2-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
CID 155206861
(1S,2R)-1-amino-1-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171162425
1-(2-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82719560
2-ethoxy-N,3,3-trimethyl-1-(2-propoxyphenyl)butan-1-amine
CID 116725574
1-(2-ethoxyphenyl)-3,3-dimethylbutane-1,2-diol
CID 103457274
1-(3,3-dimethylbutan-2-yl)-5-[(2-methylpropan-2-yl)oxy]naphthalene
CID 143952575
[2-(2-hydroxy-1-nitroethyl)phenyl] hypochlorite
CID 151311202
2-methoxy-N,3,3-trimethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine
CID 116724571
4-(2-butan-2-ylphenoxy)-5,5-dimethylhexan-3-amine
CID 63456805
1,3-bis[(1R)-1-(2-methoxyphenyl)-2,2-dimethylpropyl]imidazolidine
CID 102310465

Frequently Asked Questions

What is the IUPAC name of [2-(2,2,4,4-tetramethylpentan-3-yl)phenyl] hypochlorite?
The IUPAC name of [2-(2,2,4,4-tetramethylpentan-3-yl)phenyl] hypochlorite (CID 139804425) is [2-(2,2,4,4-tetramethylpentan-3-yl)phenyl] hypochlorite.
What is the SMILES notation for [2-(2,2,4,4-tetramethylpentan-3-yl)phenyl] hypochlorite?
The canonical SMILES for [2-(2,2,4,4-tetramethylpentan-3-yl)phenyl] hypochlorite is CC(C)(C)C(c1ccccc1OCl)C(C)(C)C.
What is the InChIKey of [2-(2,2,4,4-tetramethylpentan-3-yl)phenyl] hypochlorite?
The InChIKey is MRIHOJVEKMJAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO/c1-14(2,3)13(15(4,5)6)11-9-7-8-10-12(11)17-16/h7-10,13H,1-6H3.
What are the key properties of [2-(2,2,4,4-tetramethylpentan-3-yl)phenyl] hypochlorite?
[2-(2,2,4,4-tetramethylpentan-3-yl)phenyl] hypochlorite has a molecular weight of 254.80 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,4,4-tetramethylpentan-3-yl)phenyl] hypochlorite is sourced from PubChem (CID 139804425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).