2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol

C16H16O — CID 15739153

IUPAC2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol
SMILESCc1cccc(C/C=C/c2ccccc2)c1O
InChIInChI=1S/C16H16O/c1-13-7-5-11-15(16(13)17)12-6-10-14-8-3-2-4-9-14/h2-11,17H,12H2,1H3/b10-6+
InChIKeyDIOCMSHPASIORH-UXBLZVDNSA-N
MW224.30 g/mol
LogP3.96
Rot. Bonds3

About 2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol

2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol (PubChem CID 15739153) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol
PubChem CID15739153
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol
SMILESCc1cccc(C/C=C/c2ccccc2)c1O
InChIInChI=1S/C16H16O/c1-13-7-5-11-15(16(13)17)12-6-10-14-8-3-2-4-9-14/h2-11,17H,12H2,1H3/b10-6+
InChIKeyDIOCMSHPASIORH-UXBLZVDNSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol?
The IUPAC name of 2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol (CID 15739153) is 2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol.
What is the SMILES notation for 2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol?
The canonical SMILES for 2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol is Cc1cccc(C/C=C/c2ccccc2)c1O.
What is the InChIKey of 2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol?
The InChIKey is DIOCMSHPASIORH-UXBLZVDNSA-N. The full InChI is InChI=1S/C16H16O/c1-13-7-5-11-15(16(13)17)12-6-10-14-8-3-2-4-9-14/h2-11,17H,12H2,1H3/b10-6+.
What are the key properties of 2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol?
2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol has a molecular weight of 224.30 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol is sourced from PubChem (CID 15739153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).