2-pentan-2-yloxy-1-(4-phenylphenyl)ethanol

C19H24O2 — CID 102983372

IUPAC2-pentan-2-yloxy-1-(4-phenylphenyl)ethanol
SMILESCCCC(C)OCC(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H24O2/c1-3-7-15(2)21-14-19(20)18-12-10-17(11-13-18)16-8-5-4-6-9-16/h4-6,8-13,15,19-20H,3,7,14H2,1-2H3
InChIKeyCESZPIHCIQKDCA-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.59
Rot. Bonds7

About 2-pentan-2-yloxy-1-(4-phenylphenyl)ethanol

2-pentan-2-yloxy-1-(4-phenylphenyl)ethanol (PubChem CID 102983372) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-pentan-2-yloxy-1-(4-phenylphenyl)ethanol.

Molecular Properties

Compound Name2-pentan-2-yloxy-1-(4-phenylphenyl)ethanol
PubChem CID102983372
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name2-pentan-2-yloxy-1-(4-phenylphenyl)ethanol
SMILESCCCC(C)OCC(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H24O2/c1-3-7-15(2)21-14-19(20)18-12-10-17(11-13-18)16-8-5-4-6-9-16/h4-6,8-13,15,19-20H,3,7,14H2,1-2H3
InChIKeyCESZPIHCIQKDCA-UHFFFAOYSA-N
XLogP4.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-yloxy-1-(4-phenylphenyl)ethanol?
The IUPAC name of 2-pentan-2-yloxy-1-(4-phenylphenyl)ethanol (CID 102983372) is 2-pentan-2-yloxy-1-(4-phenylphenyl)ethanol.
What is the SMILES notation for 2-pentan-2-yloxy-1-(4-phenylphenyl)ethanol?
The canonical SMILES for 2-pentan-2-yloxy-1-(4-phenylphenyl)ethanol is CCCC(C)OCC(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-pentan-2-yloxy-1-(4-phenylphenyl)ethanol?
The InChIKey is CESZPIHCIQKDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-3-7-15(2)21-14-19(20)18-12-10-17(11-13-18)16-8-5-4-6-9-16/h4-6,8-13,15,19-20H,3,7,14H2,1-2H3.
What are the key properties of 2-pentan-2-yloxy-1-(4-phenylphenyl)ethanol?
2-pentan-2-yloxy-1-(4-phenylphenyl)ethanol has a molecular weight of 284.40 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-yloxy-1-(4-phenylphenyl)ethanol is sourced from PubChem (CID 102983372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).