2-methyl-1,4-diphenylbutan-2-ol

C17H20O — CID 103642101

IUPAC2-methyl-1,4-diphenylbutan-2-ol
SMILESCC(O)(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H20O/c1-17(18,14-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-11,18H,12-14H2,1H3
InChIKeyGKZLDXRFAXDHAD-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.61
Rot. Bonds5

About 2-methyl-1,4-diphenylbutan-2-ol

2-methyl-1,4-diphenylbutan-2-ol (PubChem CID 103642101) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-methyl-1,4-diphenylbutan-2-ol.

Molecular Properties

Compound Name2-methyl-1,4-diphenylbutan-2-ol
PubChem CID103642101
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name2-methyl-1,4-diphenylbutan-2-ol
SMILESCC(O)(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H20O/c1-17(18,14-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-11,18H,12-14H2,1H3
InChIKeyGKZLDXRFAXDHAD-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dimethyl-1-phenylhexan-2-ol
CID 63011565
3,5-dimethyl-1-phenylhexan-3-ol
CID 12643765
(2S)-4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol
CID 672914
2-methyl-1-phenylhex-5-en-2-ol
CID 104656177
4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol;hydrochloride
CID 50985676
4-hydroxy-4-methyl-6-phenylhexan-2-one
CID 101034765
3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol
CID 69277375
2-amino-1,4-diphenylbutan-2-ol
CID 67531215
2,2-dimethyl-4-phenylbutan-1-ol
CID 59141048
(3-hydroxy-3-methyl-5-phenylpentyl) acetate
CID 14382134
2-methyl-1-(2-methylpropylamino)-4-phenylbutan-2-ol
CID 62774344
2-hydroxy-2-methyl-4-phenylbutanal
CID 10241365

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4-diphenylbutan-2-ol?
The IUPAC name of 2-methyl-1,4-diphenylbutan-2-ol (CID 103642101) is 2-methyl-1,4-diphenylbutan-2-ol.
What is the SMILES notation for 2-methyl-1,4-diphenylbutan-2-ol?
The canonical SMILES for 2-methyl-1,4-diphenylbutan-2-ol is CC(O)(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-methyl-1,4-diphenylbutan-2-ol?
The InChIKey is GKZLDXRFAXDHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-17(18,14-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-11,18H,12-14H2,1H3.
What are the key properties of 2-methyl-1,4-diphenylbutan-2-ol?
2-methyl-1,4-diphenylbutan-2-ol has a molecular weight of 240.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4-diphenylbutan-2-ol is sourced from PubChem (CID 103642101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).