chloroform;2-(2-methylphenyl)ethanol

C10H13Cl3O — CID 68926647

IUPACchloroform;2-(2-methylphenyl)ethanol
SMILESCc1ccccc1CCO.ClC(Cl)Cl
InChIInChI=1S/C9H12O.CHCl3/c1-8-4-2-3-5-9(8)6-7-10;2-1(3)4/h2-5,10H,6-7H2,1H3;1H
InChIKeyLASHNJZJUSCSRP-UHFFFAOYSA-N
MW255.57 g/mol
LogP3.52
Rot. Bonds2

About chloroform;2-(2-methylphenyl)ethanol

chloroform;2-(2-methylphenyl)ethanol (PubChem CID 68926647) has the molecular formula C10H13Cl3O and a molecular weight of 255.57 g/mol. Its IUPAC name is chloroform;2-(2-methylphenyl)ethanol.

Molecular Properties

Compound Namechloroform;2-(2-methylphenyl)ethanol
PubChem CID68926647
Molecular FormulaC10H13Cl3O
Molecular Weight255.57 g/mol
Exact Mass254.00
IUPAC Namechloroform;2-(2-methylphenyl)ethanol
SMILESCc1ccccc1CCO.ClC(Cl)Cl
InChIInChI=1S/C9H12O.CHCl3/c1-8-4-2-3-5-9(8)6-7-10;2-1(3)4/h2-5,10H,6-7H2,1H3;1H
InChIKeyLASHNJZJUSCSRP-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.57
LogP ≤ 53.52
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

ethanol;2-(2-methylphenyl)ethanol
CID 69408748
2-[2-[2-(2-methylphenyl)ethyl]phenyl]ethanol
CID 44723654
CID 57429570
CID 57429570
1-(4-chloropentyl)-2-methylbenzene
CID 64515868
1-methyl-2-[2-(2-methylphenyl)ethyl]benzene;2-methylprop-2-en-1-ol
CID 169131564
(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 51921905
1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877
potassium;1-ethenyl-2-methylbenzene;methane;2-(2-methylphenyl)ethanol;sulfane;1,2-xylene;hydroxide
CID 161475446
2-(2-chlorophenyl)ethanol;ethane
CID 142279480
1-(2-chloro-2-phenylethyl)-2-methylbenzene
CID 13075090
2-(2-methylphenyl)acetic acid
CID 67440217
CID 140700178
CID 140700178

Frequently Asked Questions

What is the IUPAC name of chloroform;2-(2-methylphenyl)ethanol?
The IUPAC name of chloroform;2-(2-methylphenyl)ethanol (CID 68926647) is chloroform;2-(2-methylphenyl)ethanol.
What is the SMILES notation for chloroform;2-(2-methylphenyl)ethanol?
The canonical SMILES for chloroform;2-(2-methylphenyl)ethanol is Cc1ccccc1CCO.ClC(Cl)Cl.
What is the InChIKey of chloroform;2-(2-methylphenyl)ethanol?
The InChIKey is LASHNJZJUSCSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.CHCl3/c1-8-4-2-3-5-9(8)6-7-10;2-1(3)4/h2-5,10H,6-7H2,1H3;1H.
What are the key properties of chloroform;2-(2-methylphenyl)ethanol?
chloroform;2-(2-methylphenyl)ethanol has a molecular weight of 255.57 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;2-(2-methylphenyl)ethanol is sourced from PubChem (CID 68926647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).