2-[4-(1-phenylbutyl)phenyl]ethanol

C18H22O — CID 166439052

IUPAC2-[4-(1-phenylbutyl)phenyl]ethanol
SMILESCCCC(c1ccccc1)c1ccc(CCO)cc1
InChIInChI=1S/C18H22O/c1-2-6-18(16-7-4-3-5-8-16)17-11-9-15(10-12-17)13-14-19/h3-5,7-12,18-19H,2,6,13-14H2,1H3
InChIKeyGXXVJPFJUQEMRV-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.15
Rot. Bonds6

About 2-[4-(1-phenylbutyl)phenyl]ethanol

2-[4-(1-phenylbutyl)phenyl]ethanol (PubChem CID 166439052) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[4-(1-phenylbutyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(1-phenylbutyl)phenyl]ethanol
PubChem CID166439052
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name2-[4-(1-phenylbutyl)phenyl]ethanol
SMILESCCCC(c1ccccc1)c1ccc(CCO)cc1
InChIInChI=1S/C18H22O/c1-2-6-18(16-7-4-3-5-8-16)17-11-9-15(10-12-17)13-14-19/h3-5,7-12,18-19H,2,6,13-14H2,1H3
InChIKeyGXXVJPFJUQEMRV-UHFFFAOYSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-phenylbutyl)phenyl]ethanol?
The IUPAC name of 2-[4-(1-phenylbutyl)phenyl]ethanol (CID 166439052) is 2-[4-(1-phenylbutyl)phenyl]ethanol.
What is the SMILES notation for 2-[4-(1-phenylbutyl)phenyl]ethanol?
The canonical SMILES for 2-[4-(1-phenylbutyl)phenyl]ethanol is CCCC(c1ccccc1)c1ccc(CCO)cc1.
What is the InChIKey of 2-[4-(1-phenylbutyl)phenyl]ethanol?
The InChIKey is GXXVJPFJUQEMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-2-6-18(16-7-4-3-5-8-16)17-11-9-15(10-12-17)13-14-19/h3-5,7-12,18-19H,2,6,13-14H2,1H3.
What are the key properties of 2-[4-(1-phenylbutyl)phenyl]ethanol?
2-[4-(1-phenylbutyl)phenyl]ethanol has a molecular weight of 254.37 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-phenylbutyl)phenyl]ethanol is sourced from PubChem (CID 166439052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).