1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol

C17H20O2 — CID 62795392

IUPAC1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(C)(O)c2ccccc2)cc1
InChIInChI=1S/C17H20O2/c1-13(2)19-16-11-9-15(10-12-16)17(3,18)14-7-5-4-6-8-14/h4-13,18H,1-3H3
InChIKeyXDEYXGMIHUQSME-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.73
Rot. Bonds4

About 1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol

1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol (PubChem CID 62795392) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol
PubChem CID62795392
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(C)(O)c2ccccc2)cc1
InChIInChI=1S/C17H20O2/c1-13(2)19-16-11-9-15(10-12-16)17(3,18)14-7-5-4-6-8-14/h4-13,18H,1-3H3
InChIKeyXDEYXGMIHUQSME-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 62796946
N-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide
CID 95367999
3-hydroxy-2,2-dimethyl-3-(4-propan-2-yloxyphenyl)butanoic acid
CID 55071473
4-[1-hydroxy-1-(3-propan-2-yloxyphenyl)ethyl]benzonitrile
CID 115481663
4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenol
CID 21466220
[4-(2-phenylpropan-2-yl)phenoxy]methanediol
CID 134502712
2-anilino-2-(4-propan-2-yloxyphenyl)propan-1-ol
CID 61046598
2-amino-2-(4-propan-2-yloxyphenyl)propanoic acid
CID 24692906
1-cyclohexyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 114794846
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyl-1-(4-propan-2-yloxyphenyl)octan-1-ol
CID 162347980
1-(2-phenylpropan-2-yl)-4-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]benzene
CID 155694440
4-(4-propan-2-yloxyphenyl)heptan-4-ol
CID 114866121

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol (CID 62795392) is 1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol is CC(C)Oc1ccc(C(C)(O)c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol?
The InChIKey is XDEYXGMIHUQSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-13(2)19-16-11-9-15(10-12-16)17(3,18)14-7-5-4-6-8-14/h4-13,18H,1-3H3.
What are the key properties of 1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol?
1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol has a molecular weight of 256.34 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 62795392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).