2-(4-methylphenyl)-1-(1-phenylcyclobutyl)ethanol

C19H22O — CID 63080555

IUPAC2-(4-methylphenyl)-1-(1-phenylcyclobutyl)ethanol
SMILESCc1ccc(CC(O)C2(c3ccccc3)CCC2)cc1
InChIInChI=1S/C19H22O/c1-15-8-10-16(11-9-15)14-18(20)19(12-5-13-19)17-6-3-2-4-7-17/h2-4,6-11,18,20H,5,12-14H2,1H3
InChIKeyBWHBBIISDFIQNG-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.02
Rot. Bonds4

About 2-(4-methylphenyl)-1-(1-phenylcyclobutyl)ethanol

2-(4-methylphenyl)-1-(1-phenylcyclobutyl)ethanol (PubChem CID 63080555) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(1-phenylcyclobutyl)ethanol.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(1-phenylcyclobutyl)ethanol
PubChem CID63080555
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name2-(4-methylphenyl)-1-(1-phenylcyclobutyl)ethanol
SMILESCc1ccc(CC(O)C2(c3ccccc3)CCC2)cc1
InChIInChI=1S/C19H22O/c1-15-8-10-16(11-9-15)14-18(20)19(12-5-13-19)17-6-3-2-4-7-17/h2-4,6-11,18,20H,5,12-14H2,1H3
InChIKeyBWHBBIISDFIQNG-UHFFFAOYSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(1-phenylcyclobutyl)ethanol?
The IUPAC name of 2-(4-methylphenyl)-1-(1-phenylcyclobutyl)ethanol (CID 63080555) is 2-(4-methylphenyl)-1-(1-phenylcyclobutyl)ethanol.
What is the SMILES notation for 2-(4-methylphenyl)-1-(1-phenylcyclobutyl)ethanol?
The canonical SMILES for 2-(4-methylphenyl)-1-(1-phenylcyclobutyl)ethanol is Cc1ccc(CC(O)C2(c3ccccc3)CCC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(1-phenylcyclobutyl)ethanol?
The InChIKey is BWHBBIISDFIQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-15-8-10-16(11-9-15)14-18(20)19(12-5-13-19)17-6-3-2-4-7-17/h2-4,6-11,18,20H,5,12-14H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1-(1-phenylcyclobutyl)ethanol?
2-(4-methylphenyl)-1-(1-phenylcyclobutyl)ethanol has a molecular weight of 266.38 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-(1-phenylcyclobutyl)ethanol is sourced from PubChem (CID 63080555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).