2,2-dimethyl-1-(4-phenylphenyl)butan-1-ol

C18H22O — CID 63426075

IUPAC2,2-dimethyl-1-(4-phenylphenyl)butan-1-ol
SMILESCCC(C)(C)C(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22O/c1-4-18(2,3)17(19)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13,17,19H,4H2,1-3H3
InChIKeyVSLUORMMIGWEJT-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.82
Rot. Bonds4

About 2,2-dimethyl-1-(4-phenylphenyl)butan-1-ol

2,2-dimethyl-1-(4-phenylphenyl)butan-1-ol (PubChem CID 63426075) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-phenylphenyl)butan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-phenylphenyl)butan-1-ol
PubChem CID63426075
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name2,2-dimethyl-1-(4-phenylphenyl)butan-1-ol
SMILESCCC(C)(C)C(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22O/c1-4-18(2,3)17(19)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13,17,19H,4H2,1-3H3
InChIKeyVSLUORMMIGWEJT-UHFFFAOYSA-N
XLogP4.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-dimethyl-1-(4-phenylphenyl)butan-1-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

2,2-difluoro-1,3-bis(4-phenylphenyl)propane-1,3-diol
CID 10319715
4-(4-phenylphenyl)hexan-3-ol
CID 175539403
2-ethyl-1-(4-phenylphenyl)butan-1-ol
CID 63425864
1-(furan-3-yl)-2,2-dimethylbutan-1-ol
CID 115797313
6-amino-4,4-dimethyl-5-(4-phenylphenyl)hexan-2-ol
CID 121454673
2,2-difluoro-1-phenylbutan-1-ol
CID 15783630
3-(dipropylamino)-2,2-dimethyl-1-phenylpropan-1-ol
CID 63193572
2-ethylsulfanyl-1-(4-phenylphenyl)ethanol
CID 65455892
3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-ol;hydrochloride
CID 117067676
(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol
CID 115827634
3-methyl-1-(4-phenylphenyl)pentan-1-ol
CID 65148669

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-phenylphenyl)butan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(4-phenylphenyl)butan-1-ol (CID 63426075) is 2,2-dimethyl-1-(4-phenylphenyl)butan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(4-phenylphenyl)butan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(4-phenylphenyl)butan-1-ol is CCC(C)(C)C(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2,2-dimethyl-1-(4-phenylphenyl)butan-1-ol?
The InChIKey is VSLUORMMIGWEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-4-18(2,3)17(19)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13,17,19H,4H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(4-phenylphenyl)butan-1-ol?
2,2-dimethyl-1-(4-phenylphenyl)butan-1-ol has a molecular weight of 254.37 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-phenylphenyl)butan-1-ol is sourced from PubChem (CID 63426075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).