[2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol

C16H24O — CID 116842625

IUPAC[2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol
SMILESCC(C)Cc1ccc(C2(CO)CC2(C)C)cc1
InChIInChI=1S/C16H24O/c1-12(2)9-13-5-7-14(8-6-13)16(11-17)10-15(16,3)4/h5-8,12,17H,9-11H2,1-4H3
InChIKeyNUQQSRJDXKQYNO-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.55
Rot. Bonds4

About [2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol

[2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol (PubChem CID 116842625) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is [2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol
PubChem CID116842625
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name[2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol
SMILESCC(C)Cc1ccc(C2(CO)CC2(C)C)cc1
InChIInChI=1S/C16H24O/c1-12(2)9-13-5-7-14(8-6-13)16(11-17)10-15(16,3)4/h5-8,12,17H,9-11H2,1-4H3
InChIKeyNUQQSRJDXKQYNO-UHFFFAOYSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol 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-methyl-2-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol
CID 81357565
4-methyl-4-[4-(2-methylpropyl)phenyl]piperidine
CID 63156729
[1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]cyclopropyl]methanol
CID 116874719
[1-(hydroxymethyl)cyclobutyl]-[4-(2-methylpropyl)phenyl]methanone
CID 116921925
3-methyl-3-[4-(2-methylpropyl)phenyl]thiiran-2-one
CID 88708350
2-methyl-2-[4-(2-methylpropyl)phenyl]morpholine
CID 3066074
2-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid
CID 116872045
1-[4-(2-methylpropyl)phenyl]cyclopropane-1-carbohydrazide
CID 116844123
trans-(1S,2R)-1-methyl-2-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid
CID 178202546
3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid
CID 116871921
ethane;2-methylpropylbenzene
CID 162200929
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol?
The IUPAC name of [2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol (CID 116842625) is [2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol.
What is the SMILES notation for [2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol?
The canonical SMILES for [2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol is CC(C)Cc1ccc(C2(CO)CC2(C)C)cc1.
What is the InChIKey of [2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol?
The InChIKey is NUQQSRJDXKQYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-12(2)9-13-5-7-14(8-6-13)16(11-17)10-15(16,3)4/h5-8,12,17H,9-11H2,1-4H3.
What are the key properties of [2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol?
[2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol has a molecular weight of 232.37 g/mol, XLogP of 3.55, 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-(2-methylpropyl)phenyl]cyclopropyl]methanol is sourced from PubChem (CID 116842625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).