4-[2-(1-hydroxycyclobutyl)ethyl]phenol

C12H16O2 — CID 59527196

IUPAC4-[2-(1-hydroxycyclobutyl)ethyl]phenol
SMILESOc1ccc(CCC2(O)CCC2)cc1
InChIInChI=1S/C12H16O2/c13-11-4-2-10(3-5-11)6-9-12(14)7-1-8-12/h2-5,13-14H,1,6-9H2
InChIKeyQTPRMMYYAIXIJC-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.24
Rot. Bonds3

About 4-[2-(1-hydroxycyclobutyl)ethyl]phenol

4-[2-(1-hydroxycyclobutyl)ethyl]phenol (PubChem CID 59527196) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-[2-(1-hydroxycyclobutyl)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(1-hydroxycyclobutyl)ethyl]phenol
PubChem CID59527196
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-[2-(1-hydroxycyclobutyl)ethyl]phenol
SMILESOc1ccc(CCC2(O)CCC2)cc1
InChIInChI=1S/C12H16O2/c13-11-4-2-10(3-5-11)6-9-12(14)7-1-8-12/h2-5,13-14H,1,6-9H2
InChIKeyQTPRMMYYAIXIJC-UHFFFAOYSA-N
XLogP2.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-methyl-1-(2-phenylethyl)cycloheptan-1-ol
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1-[2-[4-(4-aminobutyl)phenyl]ethyl]cyclopropan-1-ol
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1-[2-(4-ethenylphenyl)ethyl]cyclopropan-1-ol
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N-[(1-hydroxycyclobutyl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 115696780
1-[(1-hydroxycyclobutyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111438069
1-[2-[4-[3-(diethylamino)propyl]phenyl]ethyl]cyclohexan-1-ol;hydrochloride
CID 3041196
1-[(1-hydroxycyclopentyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
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3-[[3-(4-hydroxyphenyl)propylamino]methyl]piperidin-3-ol
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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-hydroxycyclobutyl)ethyl]phenol?
The IUPAC name of 4-[2-(1-hydroxycyclobutyl)ethyl]phenol (CID 59527196) is 4-[2-(1-hydroxycyclobutyl)ethyl]phenol.
What is the SMILES notation for 4-[2-(1-hydroxycyclobutyl)ethyl]phenol?
The canonical SMILES for 4-[2-(1-hydroxycyclobutyl)ethyl]phenol is Oc1ccc(CCC2(O)CCC2)cc1.
What is the InChIKey of 4-[2-(1-hydroxycyclobutyl)ethyl]phenol?
The InChIKey is QTPRMMYYAIXIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c13-11-4-2-10(3-5-11)6-9-12(14)7-1-8-12/h2-5,13-14H,1,6-9H2.
What are the key properties of 4-[2-(1-hydroxycyclobutyl)ethyl]phenol?
4-[2-(1-hydroxycyclobutyl)ethyl]phenol has a molecular weight of 192.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-hydroxycyclobutyl)ethyl]phenol is sourced from PubChem (CID 59527196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).