1-cyclopropyl-2-[3-(2-methylpropyl)phenyl]propan-2-ol

C16H24O — CID 116542889

IUPAC1-cyclopropyl-2-[3-(2-methylpropyl)phenyl]propan-2-ol
SMILESCC(C)Cc1cccc(C(C)(O)CC2CC2)c1
InChIInChI=1S/C16H24O/c1-12(2)9-14-5-4-6-15(10-14)16(3,17)11-13-7-8-13/h4-6,10,12-13,17H,7-9,11H2,1-3H3
InChIKeyTYMQPOWKSQCSDT-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.89
Rot. Bonds5

About 1-cyclopropyl-2-[3-(2-methylpropyl)phenyl]propan-2-ol

1-cyclopropyl-2-[3-(2-methylpropyl)phenyl]propan-2-ol (PubChem CID 116542889) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-(2-methylpropyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-(2-methylpropyl)phenyl]propan-2-ol
PubChem CID116542889
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-cyclopropyl-2-[3-(2-methylpropyl)phenyl]propan-2-ol
SMILESCC(C)Cc1cccc(C(C)(O)CC2CC2)c1
InChIInChI=1S/C16H24O/c1-12(2)9-14-5-4-6-15(10-14)16(3,17)11-13-7-8-13/h4-6,10,12-13,17H,7-9,11H2,1-3H3
InChIKeyTYMQPOWKSQCSDT-UHFFFAOYSA-N
XLogP3.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol
CID 116542792
2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-ol
CID 116542343
2-[3-(2-methylpropyl)phenyl]butan-2-ol
CID 116542302
2-[3-(2-methylpropyl)phenyl]-1-morpholin-3-ylpropan-2-ol
CID 116542872
2-[3-(2-methylpropyl)phenyl]-1-(propan-2-ylamino)propan-2-ol
CID 116546306
1-(3,5-dimethylphenyl)-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116542789
1-(4-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116542275
2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-amine
CID 116542994
2,2-difluoro-2-[3-(2-methylpropyl)phenyl]ethanol
CID 105425775
2,2-difluoro-2-[3-(2-methylpropyl)phenyl]acetic acid
CID 116545513
1-(2-cyclohexylethyl)-3-(2-methylpropyl)benzene
CID 154060470
1-tert-butyl-3-(2-methylpropyl)benzene;2,3-dimethylbutane;methane;bis(2-methylbutane);1-methyl-4-(2-methylpropyl)benzene;2-methylpropane;2-methylpropylcyclopropane;propan-2-ol;propan-2-ylcyclopropane
CID 163733052

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-(2-methylpropyl)phenyl]propan-2-ol?
The IUPAC name of 1-cyclopropyl-2-[3-(2-methylpropyl)phenyl]propan-2-ol (CID 116542889) is 1-cyclopropyl-2-[3-(2-methylpropyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-cyclopropyl-2-[3-(2-methylpropyl)phenyl]propan-2-ol?
The canonical SMILES for 1-cyclopropyl-2-[3-(2-methylpropyl)phenyl]propan-2-ol is CC(C)Cc1cccc(C(C)(O)CC2CC2)c1.
What is the InChIKey of 1-cyclopropyl-2-[3-(2-methylpropyl)phenyl]propan-2-ol?
The InChIKey is TYMQPOWKSQCSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-12(2)9-14-5-4-6-15(10-14)16(3,17)11-13-7-8-13/h4-6,10,12-13,17H,7-9,11H2,1-3H3.
What are the key properties of 1-cyclopropyl-2-[3-(2-methylpropyl)phenyl]propan-2-ol?
1-cyclopropyl-2-[3-(2-methylpropyl)phenyl]propan-2-ol has a molecular weight of 232.37 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-(2-methylpropyl)phenyl]propan-2-ol is sourced from PubChem (CID 116542889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).