1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol

C19H23ClO — CID 63410107

IUPAC1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol
SMILESCC(C)(C)c1ccc(CC(O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClO/c1-19(2,3)16-8-4-14(5-9-16)12-18(21)13-15-6-10-17(20)11-7-15/h4-11,18,21H,12-13H2,1-3H3
InChIKeyHZOHNRXSQURUOR-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.78
Rot. Bonds4

About 1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol

1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol (PubChem CID 63410107) has the molecular formula C19H23ClO and a molecular weight of 302.85 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol
PubChem CID63410107
Molecular FormulaC19H23ClO
Molecular Weight302.85 g/mol
Exact Mass302.14
IUPAC Name1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol
SMILESCC(C)(C)c1ccc(CC(O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClO/c1-19(2,3)16-8-4-14(5-9-16)12-18(21)13-15-6-10-17(20)11-7-15/h4-11,18,21H,12-13H2,1-3H3
InChIKeyHZOHNRXSQURUOR-UHFFFAOYSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-bis(4-chlorophenyl)propan-2-ol
CID 19824078
1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60798023
1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375521
1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-2-ol
CID 79952878
4-(4-tert-butylphenyl)-3-hydroxybutanenitrile
CID 82079041
1-[1-bromo-3-(4-tert-butylphenyl)propan-2-yl]-4-chlorobenzene
CID 79433622
bis(1-tert-butyl-4-chlorobenzene);hydrate
CID 91871679
1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64770114
(2R)-3-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-ol
CID 94905405
1-(4-chlorophenyl)-4-methylhexan-2-ol
CID 62607986
1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 60797754
(2S)-3-chloro-4-(4-chlorophenyl)butan-2-ol
CID 131029128

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol (CID 63410107) is 1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol is CC(C)(C)c1ccc(CC(O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol?
The InChIKey is HZOHNRXSQURUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClO/c1-19(2,3)16-8-4-14(5-9-16)12-18(21)13-15-6-10-17(20)11-7-15/h4-11,18,21H,12-13H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol?
1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol has a molecular weight of 302.85 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol is sourced from PubChem (CID 63410107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).