4-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol

C18H20O2 — CID 116505479

IUPAC4-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol
SMILESCC(O)(c1ccc(O)cc1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H20O2/c1-18(20,16-9-11-17(19)12-10-16)15-7-5-14(6-8-15)13-3-2-4-13/h5-13,19-20H,2-4H2,1H3
InChIKeyVXLCSEJKTLEALP-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.92
Rot. Bonds3

About 4-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol

4-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol (PubChem CID 116505479) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name4-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol
PubChem CID116505479
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol
SMILESCC(O)(c1ccc(O)cc1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H20O2/c1-18(20,16-9-11-17(19)12-10-16)15-7-5-14(6-8-15)13-3-2-4-13/h5-13,19-20H,2-4H2,1H3
InChIKeyVXLCSEJKTLEALP-UHFFFAOYSA-N
XLogP3.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyclobutylphenyl)-3,3-dimethylbutan-2-ol
CID 116505450
2-(4-cyclobutylphenyl)butan-2-ol
CID 116505233
1-amino-2-(4-cyclobutylphenyl)propan-2-ol
CID 116505464
2-(4-cyclobutylphenyl)-2-hydroxypropanal
CID 116505401
4-[2-(4-cyclohexylphenyl)-2-methylpropyl]phenol
CID 174733331
4-[1-(4-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol
CID 114518723
2-(4-cyclobutylphenyl)-1-cyclopropylpropan-2-ol
CID 116505508
1-(4-cyclopropylphenyl)ethane-1,1-diol
CID 91219710
1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 24843348
1-(3-cyclobutylphenyl)-1-(4-methylphenyl)ethanol
CID 114601068
1-(tert-butylamino)-2-(4-cyclobutylphenyl)propan-2-ol
CID 116507022
2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol
CID 116507021

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol?
The IUPAC name of 4-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol (CID 116505479) is 4-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol.
What is the SMILES notation for 4-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol?
The canonical SMILES for 4-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol is CC(O)(c1ccc(O)cc1)c1ccc(C2CCC2)cc1.
What is the InChIKey of 4-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol?
The InChIKey is VXLCSEJKTLEALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-18(20,16-9-11-17(19)12-10-16)15-7-5-14(6-8-15)13-3-2-4-13/h5-13,19-20H,2-4H2,1H3.
What are the key properties of 4-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol?
4-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol has a molecular weight of 268.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol is sourced from PubChem (CID 116505479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).