1-(3-propan-2-ylphenyl)cyclobutan-1-ol

C13H18O — CID 170997587

IUPAC1-(3-propan-2-ylphenyl)cyclobutan-1-ol
SMILESCC(C)c1cccc(C2(O)CCC2)c1
InChIInChI=1S/C13H18O/c1-10(2)11-5-3-6-12(9-11)13(14)7-4-8-13/h3,5-6,9-10,14H,4,7-8H2,1-2H3
InChIKeyNUNVWEVCVRAHCH-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.18
Rot. Bonds2

About 1-(3-propan-2-ylphenyl)cyclobutan-1-ol

1-(3-propan-2-ylphenyl)cyclobutan-1-ol (PubChem CID 170997587) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(3-propan-2-ylphenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(3-propan-2-ylphenyl)cyclobutan-1-ol
PubChem CID170997587
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-(3-propan-2-ylphenyl)cyclobutan-1-ol
SMILESCC(C)c1cccc(C2(O)CCC2)c1
InChIInChI=1S/C13H18O/c1-10(2)11-5-3-6-12(9-11)13(14)7-4-8-13/h3,5-6,9-10,14H,4,7-8H2,1-2H3
InChIKeyNUNVWEVCVRAHCH-UHFFFAOYSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(1-fluoroethyl)phenyl]cyclopropan-1-ol
CID 117278395
1-(3-propan-2-ylphenyl)cyclobutan-1-amine
CID 82603155
2-[3-(1-hydroxycyclopropyl)phenyl]propanoic acid
CID 115113055
1-[3-(1-aminopropan-2-yl)phenyl]cyclopropan-1-ol
CID 115113169
3-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171961948
1-(3-propan-2-ylphenyl)cyclopropan-1-amine
CID 55268959
1-[3-(2-amino-1-hydroxyethyl)phenyl]cyclopropan-1-ol
CID 117115274
[3-hydroxy-3-(3-propan-2-ylphenyl)cyclobutyl]-methylcarbamic acid
CID 166759832
1-(3-phenylphenyl)cyclobutan-1-ol
CID 174781910
3,3-dimethyl-4-(3-propan-2-ylphenyl)piperidin-4-ol
CID 174505137
1-[1-(2-fluoropropan-2-yl)cyclopropyl]-3-propan-2-ylbenzene
CID 146290347
3-(1-hydroxycyclobutyl)benzonitrile
CID 141367616

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylphenyl)cyclobutan-1-ol?
The IUPAC name of 1-(3-propan-2-ylphenyl)cyclobutan-1-ol (CID 170997587) is 1-(3-propan-2-ylphenyl)cyclobutan-1-ol.
What is the SMILES notation for 1-(3-propan-2-ylphenyl)cyclobutan-1-ol?
The canonical SMILES for 1-(3-propan-2-ylphenyl)cyclobutan-1-ol is CC(C)c1cccc(C2(O)CCC2)c1.
What is the InChIKey of 1-(3-propan-2-ylphenyl)cyclobutan-1-ol?
The InChIKey is NUNVWEVCVRAHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-10(2)11-5-3-6-12(9-11)13(14)7-4-8-13/h3,5-6,9-10,14H,4,7-8H2,1-2H3.
What are the key properties of 1-(3-propan-2-ylphenyl)cyclobutan-1-ol?
1-(3-propan-2-ylphenyl)cyclobutan-1-ol has a molecular weight of 190.29 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylphenyl)cyclobutan-1-ol is sourced from PubChem (CID 170997587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).