4-chloro-2-methyl-4-phenylbutan-2-ol

C11H15ClO — CID 174946431

IUPAC4-chloro-2-methyl-4-phenylbutan-2-ol
SMILESCC(C)(O)CC(Cl)c1ccccc1
InChIInChI=1S/C11H15ClO/c1-11(2,13)8-10(12)9-6-4-3-5-7-9/h3-7,10,13H,8H2,1-2H3
InChIKeyRCXDDWFVSDQZAE-UHFFFAOYSA-N
MW198.69 g/mol
LogP3.13
Rot. Bonds3

About 4-chloro-2-methyl-4-phenylbutan-2-ol

4-chloro-2-methyl-4-phenylbutan-2-ol (PubChem CID 174946431) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 4-chloro-2-methyl-4-phenylbutan-2-ol.

Molecular Properties

Compound Name4-chloro-2-methyl-4-phenylbutan-2-ol
PubChem CID174946431
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name4-chloro-2-methyl-4-phenylbutan-2-ol
SMILESCC(C)(O)CC(Cl)c1ccccc1
InChIInChI=1S/C11H15ClO/c1-11(2,13)8-10(12)9-6-4-3-5-7-9/h3-7,10,13H,8H2,1-2H3
InChIKeyRCXDDWFVSDQZAE-UHFFFAOYSA-N
XLogP3.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.13
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

(4-chloro-2-methyl-4-phenylbutan-2-yl)silane
CID 173111800
(4S)-2-methyl-4-phenylpentan-2-ol
CID 129361688
(1S,3R)-1,3-diphenylbutane-1,3-diol
CID 13113333
2-methyl-4-phenyl-4-propan-2-yloxybutan-2-ol
CID 142601392
S-ethyl 5-chloro-3,3-dimethyl-5-phenylpentanethioate
CID 88671945
1,2-diphenylethane-1,2-dione;4-methyl-1-phenylpentane-1,2,4-triol
CID 174766499
(2S)-2-chloro-N-[(2S)-2-chloro-2-phenylethyl]-N-methyl-2-phenylethanamine
CID 97292301
2-methyl-5-phenylhexan-2-ol
CID 12716609
3-chloro-3-phenylpropanoic acid
CID 22742526
1-[(2-hydroxy-2-methylpropyl)-[(1R)-1-phenylethyl]amino]-2-methylpropan-2-ol
CID 15518749
3-methyl-1-phenylpentane-1,3-diol
CID 173455419
2,2,4-trichloro-4-phenyl-N-propylbutan-1-imine
CID 134895284

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-4-phenylbutan-2-ol?
The IUPAC name of 4-chloro-2-methyl-4-phenylbutan-2-ol (CID 174946431) is 4-chloro-2-methyl-4-phenylbutan-2-ol.
What is the SMILES notation for 4-chloro-2-methyl-4-phenylbutan-2-ol?
The canonical SMILES for 4-chloro-2-methyl-4-phenylbutan-2-ol is CC(C)(O)CC(Cl)c1ccccc1.
What is the InChIKey of 4-chloro-2-methyl-4-phenylbutan-2-ol?
The InChIKey is RCXDDWFVSDQZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-11(2,13)8-10(12)9-6-4-3-5-7-9/h3-7,10,13H,8H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-4-phenylbutan-2-ol?
4-chloro-2-methyl-4-phenylbutan-2-ol has a molecular weight of 198.69 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-4-phenylbutan-2-ol is sourced from PubChem (CID 174946431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).