1-methyl-3-[(E)-2-phenylhex-1-enoxy]benzene

C19H22O — CID 72711989

IUPAC1-methyl-3-[(E)-2-phenylhex-1-enoxy]benzene
SMILESCCCC/C(=C\Oc1cccc(C)c1)c1ccccc1
InChIInChI=1S/C19H22O/c1-3-4-10-18(17-11-6-5-7-12-17)15-20-19-13-8-9-16(2)14-19/h5-9,11-15H,3-4,10H2,1-2H3/b18-15+
InChIKeyWZTPHYNABGMORC-OBGWFSINSA-N
MW266.38 g/mol
LogP5.61
Rot. Bonds6

About 1-methyl-3-[(E)-2-phenylhex-1-enoxy]benzene

1-methyl-3-[(E)-2-phenylhex-1-enoxy]benzene (PubChem CID 72711989) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-methyl-3-[(E)-2-phenylhex-1-enoxy]benzene.

Molecular Properties

Compound Name1-methyl-3-[(E)-2-phenylhex-1-enoxy]benzene
PubChem CID72711989
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name1-methyl-3-[(E)-2-phenylhex-1-enoxy]benzene
SMILESCCCC/C(=C\Oc1cccc(C)c1)c1ccccc1
InChIInChI=1S/C19H22O/c1-3-4-10-18(17-11-6-5-7-12-17)15-20-19-13-8-9-16(2)14-19/h5-9,11-15H,3-4,10H2,1-2H3/b18-15+
InChIKeyWZTPHYNABGMORC-OBGWFSINSA-N
XLogP5.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(E)-2-phenylhex-1-enoxy]benzene?
The IUPAC name of 1-methyl-3-[(E)-2-phenylhex-1-enoxy]benzene (CID 72711989) is 1-methyl-3-[(E)-2-phenylhex-1-enoxy]benzene.
What is the SMILES notation for 1-methyl-3-[(E)-2-phenylhex-1-enoxy]benzene?
The canonical SMILES for 1-methyl-3-[(E)-2-phenylhex-1-enoxy]benzene is CCCC/C(=C\Oc1cccc(C)c1)c1ccccc1.
What is the InChIKey of 1-methyl-3-[(E)-2-phenylhex-1-enoxy]benzene?
The InChIKey is WZTPHYNABGMORC-OBGWFSINSA-N. The full InChI is InChI=1S/C19H22O/c1-3-4-10-18(17-11-6-5-7-12-17)15-20-19-13-8-9-16(2)14-19/h5-9,11-15H,3-4,10H2,1-2H3/b18-15+.
What are the key properties of 1-methyl-3-[(E)-2-phenylhex-1-enoxy]benzene?
1-methyl-3-[(E)-2-phenylhex-1-enoxy]benzene has a molecular weight of 266.38 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(E)-2-phenylhex-1-enoxy]benzene is sourced from PubChem (CID 72711989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).