1-[hydroxy-(4-methylphenyl)methyl]cyclobutan-1-ol

C12H16O2 — CID 59815118

IUPAC1-[hydroxy-(4-methylphenyl)methyl]cyclobutan-1-ol
SMILESCc1ccc(C(O)C2(O)CCC2)cc1
InChIInChI=1S/C12H16O2/c1-9-3-5-10(6-4-9)11(13)12(14)7-2-8-12/h3-6,11,13-14H,2,7-8H2,1H3
InChIKeyFJZJZPQPVTYCHY-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.94
Rot. Bonds2

About 1-[hydroxy-(4-methylphenyl)methyl]cyclobutan-1-ol

1-[hydroxy-(4-methylphenyl)methyl]cyclobutan-1-ol (PubChem CID 59815118) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[hydroxy-(4-methylphenyl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[hydroxy-(4-methylphenyl)methyl]cyclobutan-1-ol
PubChem CID59815118
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-[hydroxy-(4-methylphenyl)methyl]cyclobutan-1-ol
SMILESCc1ccc(C(O)C2(O)CCC2)cc1
InChIInChI=1S/C12H16O2/c1-9-3-5-10(6-4-9)11(13)12(14)7-2-8-12/h3-6,11,13-14H,2,7-8H2,1H3
InChIKeyFJZJZPQPVTYCHY-UHFFFAOYSA-N
XLogP1.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-(4-methylphenyl)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[hydroxy-(4-methylphenyl)methyl]cyclobutan-1-ol (CID 59815118) is 1-[hydroxy-(4-methylphenyl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[hydroxy-(4-methylphenyl)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[hydroxy-(4-methylphenyl)methyl]cyclobutan-1-ol is Cc1ccc(C(O)C2(O)CCC2)cc1.
What is the InChIKey of 1-[hydroxy-(4-methylphenyl)methyl]cyclobutan-1-ol?
The InChIKey is FJZJZPQPVTYCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9-3-5-10(6-4-9)11(13)12(14)7-2-8-12/h3-6,11,13-14H,2,7-8H2,1H3.
What are the key properties of 1-[hydroxy-(4-methylphenyl)methyl]cyclobutan-1-ol?
1-[hydroxy-(4-methylphenyl)methyl]cyclobutan-1-ol has a molecular weight of 192.26 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-(4-methylphenyl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 59815118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).