2,2,2-trichloro-1-[4-(2-methylpropyl)phenyl]ethanol

C12H15Cl3O — CID 154190190

IUPAC2,2,2-trichloro-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCC(C)Cc1ccc(C(O)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C12H15Cl3O/c1-8(2)7-9-3-5-10(6-4-9)11(16)12(13,14)15/h3-6,8,11,16H,7H2,1-2H3
InChIKeyFVBSOBQMQOBCRU-UHFFFAOYSA-N
MW281.61 g/mol
LogP4.29
Rot. Bonds3

About 2,2,2-trichloro-1-[4-(2-methylpropyl)phenyl]ethanol

2,2,2-trichloro-1-[4-(2-methylpropyl)phenyl]ethanol (PubChem CID 154190190) has the molecular formula C12H15Cl3O and a molecular weight of 281.61 g/mol. Its IUPAC name is 2,2,2-trichloro-1-[4-(2-methylpropyl)phenyl]ethanol.

Molecular Properties

Compound Name2,2,2-trichloro-1-[4-(2-methylpropyl)phenyl]ethanol
PubChem CID154190190
Molecular FormulaC12H15Cl3O
Molecular Weight281.61 g/mol
Exact Mass280.02
IUPAC Name2,2,2-trichloro-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCC(C)Cc1ccc(C(O)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C12H15Cl3O/c1-8(2)7-9-3-5-10(6-4-9)11(16)12(13,14)15/h3-6,8,11,16H,7H2,1-2H3
InChIKeyFVBSOBQMQOBCRU-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.61
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
1-(1-chloroethyl)-4-(2-methylpropyl)benzene;1-[4-(2-methylpropyl)phenyl]ethanol;hydrochloride
CID 159111103
(2-chlorophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 63428149
3-ethyl-1-[4-(2-methylpropyl)phenyl]pentan-1-ol
CID 82928091
(2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid
CID 45117198
3-fluoro-2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 165499580
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43093450
1-(1-chloropropyl)-4-(2-methylpropyl)benzene
CID 11745911
1-(1-chloro-3-methylbutyl)-4-(2-methylpropyl)benzene
CID 63430577
2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63428543
(3,4-dichlorophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 63428546

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-1-[4-(2-methylpropyl)phenyl]ethanol?
The IUPAC name of 2,2,2-trichloro-1-[4-(2-methylpropyl)phenyl]ethanol (CID 154190190) is 2,2,2-trichloro-1-[4-(2-methylpropyl)phenyl]ethanol.
What is the SMILES notation for 2,2,2-trichloro-1-[4-(2-methylpropyl)phenyl]ethanol?
The canonical SMILES for 2,2,2-trichloro-1-[4-(2-methylpropyl)phenyl]ethanol is CC(C)Cc1ccc(C(O)C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 2,2,2-trichloro-1-[4-(2-methylpropyl)phenyl]ethanol?
The InChIKey is FVBSOBQMQOBCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3O/c1-8(2)7-9-3-5-10(6-4-9)11(16)12(13,14)15/h3-6,8,11,16H,7H2,1-2H3.
What are the key properties of 2,2,2-trichloro-1-[4-(2-methylpropyl)phenyl]ethanol?
2,2,2-trichloro-1-[4-(2-methylpropyl)phenyl]ethanol has a molecular weight of 281.61 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-1-[4-(2-methylpropyl)phenyl]ethanol is sourced from PubChem (CID 154190190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).