1-[5-methyl-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanol

C18H20O2 — CID 43505396

IUPAC1-[5-methyl-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanol
SMILESCc1ccc(OC/C=C/c2ccccc2)c(C(C)O)c1
InChIInChI=1S/C18H20O2/c1-14-10-11-18(17(13-14)15(2)19)20-12-6-9-16-7-4-3-5-8-16/h3-11,13,15,19H,12H2,1-2H3/b9-6+
InChIKeyVAMXSFYHQFVZLU-RMKNXTFCSA-N
MW268.36 g/mol
LogP4.14
Rot. Bonds5

About 1-[5-methyl-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanol

1-[5-methyl-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanol (PubChem CID 43505396) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[5-methyl-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[5-methyl-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanol
PubChem CID43505396
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-[5-methyl-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanol
SMILESCc1ccc(OC/C=C/c2ccccc2)c(C(C)O)c1
InChIInChI=1S/C18H20O2/c1-14-10-11-18(17(13-14)15(2)19)20-12-6-9-16-7-4-3-5-8-16/h3-11,13,15,19H,12H2,1-2H3/b9-6+
InChIKeyVAMXSFYHQFVZLU-RMKNXTFCSA-N
XLogP4.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[5-methyl-2-(3-phenylprop-2-enoxy)phenyl]ethanamine
CID 78936353
(1R)-1-[5-chloro-2-(3-phenylprop-2-enoxy)phenyl]ethanol
CID 78930104
(1S)-1-(2-but-2-enoxy-5-methylphenyl)ethanol
CID 78934280
(1R)-1-(2-but-2-enoxy-5-methylphenyl)ethanol
CID 78931205
(1R)-1-[2-(3-chloroprop-2-enoxy)-5-methylphenyl]ethanol
CID 78931075
(1S)-1-[4-bromo-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanol
CID 102949116
5-methyl-2-(3-phenylprop-2-enoxy)benzaldehyde
CID 77011403
(1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol
CID 63366399
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
(1S)-1-[2-(3-phenylprop-2-enoxy)phenyl]ethanamine
CID 78936519
(1S)-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanol
CID 78933854
1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol
CID 60923086

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanol?
The IUPAC name of 1-[5-methyl-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanol (CID 43505396) is 1-[5-methyl-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanol.
What is the SMILES notation for 1-[5-methyl-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanol?
The canonical SMILES for 1-[5-methyl-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanol is Cc1ccc(OC/C=C/c2ccccc2)c(C(C)O)c1.
What is the InChIKey of 1-[5-methyl-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanol?
The InChIKey is VAMXSFYHQFVZLU-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H20O2/c1-14-10-11-18(17(13-14)15(2)19)20-12-6-9-16-7-4-3-5-8-16/h3-11,13,15,19H,12H2,1-2H3/b9-6+.
What are the key properties of 1-[5-methyl-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanol?
1-[5-methyl-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanol has a molecular weight of 268.36 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanol is sourced from PubChem (CID 43505396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).