1-chloro-1-(4-methylphenyl)-2-phenylethanol

C15H15ClO — CID 139664712

IUPAC1-chloro-1-(4-methylphenyl)-2-phenylethanol
SMILESCc1ccc(C(O)(Cl)Cc2ccccc2)cc1
InChIInChI=1S/C15H15ClO/c1-12-7-9-14(10-8-12)15(16,17)11-13-5-3-2-4-6-13/h2-10,17H,11H2,1H3
InChIKeyOWFZJNDNUDCFAG-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.62
Rot. Bonds3

About 1-chloro-1-(4-methylphenyl)-2-phenylethanol

1-chloro-1-(4-methylphenyl)-2-phenylethanol (PubChem CID 139664712) has the molecular formula C15H15ClO and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-chloro-1-(4-methylphenyl)-2-phenylethanol.

Molecular Properties

Compound Name1-chloro-1-(4-methylphenyl)-2-phenylethanol
PubChem CID139664712
Molecular FormulaC15H15ClO
Molecular Weight246.74 g/mol
Exact Mass246.08
IUPAC Name1-chloro-1-(4-methylphenyl)-2-phenylethanol
SMILESCc1ccc(C(O)(Cl)Cc2ccccc2)cc1
InChIInChI=1S/C15H15ClO/c1-12-7-9-14(10-8-12)15(16,17)11-13-5-3-2-4-6-13/h2-10,17H,11H2,1H3
InChIKeyOWFZJNDNUDCFAG-UHFFFAOYSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.62
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-(4-methylphenyl)-2-phenylpentan-2-ol
CID 60797697
(2S)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol
CID 101072833
(2R)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol
CID 22084869
1-phenylpentane-2,2-diol
CID 56635388
1-[2-benzyl-3-bromo-2-(bromomethyl)propyl]-4-methylbenzene
CID 79452764
benzene;tetrachloromethane;toluene
CID 172748154
1-(2,4-dimethylphenyl)-2-phenylethane-1,1-diol
CID 175050709
2-methyl-1-(4-methylphenyl)-4-phenylbut-3-yn-2-ol
CID 11680385
2-chloro-2-methyl-3-phenylpropan-1-ol
CID 130128732
(1-benzylpiperidin-4-yl)-bis(4-methylphenyl)methanol
CID 14698737
chloromethane;toluene
CID 178022822
1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
CID 22957062

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(4-methylphenyl)-2-phenylethanol?
The IUPAC name of 1-chloro-1-(4-methylphenyl)-2-phenylethanol (CID 139664712) is 1-chloro-1-(4-methylphenyl)-2-phenylethanol.
What is the SMILES notation for 1-chloro-1-(4-methylphenyl)-2-phenylethanol?
The canonical SMILES for 1-chloro-1-(4-methylphenyl)-2-phenylethanol is Cc1ccc(C(O)(Cl)Cc2ccccc2)cc1.
What is the InChIKey of 1-chloro-1-(4-methylphenyl)-2-phenylethanol?
The InChIKey is OWFZJNDNUDCFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO/c1-12-7-9-14(10-8-12)15(16,17)11-13-5-3-2-4-6-13/h2-10,17H,11H2,1H3.
What are the key properties of 1-chloro-1-(4-methylphenyl)-2-phenylethanol?
1-chloro-1-(4-methylphenyl)-2-phenylethanol has a molecular weight of 246.74 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(4-methylphenyl)-2-phenylethanol is sourced from PubChem (CID 139664712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).