[3-methyl-2-[(Z)-1-phenylhept-1-en-2-yl]phenyl]methanol

C21H26O — CID 171989958

IUPAC[3-methyl-2-[(Z)-1-phenylhept-1-en-2-yl]phenyl]methanol
SMILESCCCCC/C(=C/c1ccccc1)c1c(C)cccc1CO
InChIInChI=1S/C21H26O/c1-3-4-6-13-19(15-18-11-7-5-8-12-18)21-17(2)10-9-14-20(21)16-22/h5,7-12,14-15,22H,3-4,6,13,16H2,1-2H3/b19-15-
InChIKeySWMUNEASQPHABJ-CYVLTUHYSA-N
MW294.44 g/mol
LogP5.61
Rot. Bonds7

About [3-methyl-2-[(Z)-1-phenylhept-1-en-2-yl]phenyl]methanol

[3-methyl-2-[(Z)-1-phenylhept-1-en-2-yl]phenyl]methanol (PubChem CID 171989958) has the molecular formula C21H26O and a molecular weight of 294.44 g/mol. Its IUPAC name is [3-methyl-2-[(Z)-1-phenylhept-1-en-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-methyl-2-[(Z)-1-phenylhept-1-en-2-yl]phenyl]methanol
PubChem CID171989958
Molecular FormulaC21H26O
Molecular Weight294.44 g/mol
Exact Mass294.20
IUPAC Name[3-methyl-2-[(Z)-1-phenylhept-1-en-2-yl]phenyl]methanol
SMILESCCCCC/C(=C/c1ccccc1)c1c(C)cccc1CO
InChIInChI=1S/C21H26O/c1-3-4-6-13-19(15-18-11-7-5-8-12-18)21-17(2)10-9-14-20(21)16-22/h5,7-12,14-15,22H,3-4,6,13,16H2,1-2H3/b19-15-
InChIKeySWMUNEASQPHABJ-CYVLTUHYSA-N
XLogP5.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
[(E)-2-fluorohept-1-enyl]benzene
CID 20721098
1-chloro-2-[(Z)-1-phenyloct-1-en-2-yl]benzene
CID 101104759
1-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]benzene
CID 44521359
[(Z)-2-ethoxynon-1-enyl]benzene
CID 134932446
ethyl 4-[(Z)-1-phenylhept-1-en-2-yl]benzoate
CID 23658634
(2E)-2-benzylideneheptanoic acid
CID 14318164
[(Z)-2-chlorooct-1-enyl]benzene
CID 15271116
(E,4Z)-4-benzylidene-1-(3-methylphenyl)non-2-en-1-one
CID 19571079
1-fluoro-4-[(E)-1-phenylhex-1-en-2-yl]benzene
CID 72736917
[(Z)-non-3-en-4-yl]benzene
CID 101008148
3-(1-phenylicos-1-en-2-yl)furan-2,5-dione
CID 175787313

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-[(Z)-1-phenylhept-1-en-2-yl]phenyl]methanol?
The IUPAC name of [3-methyl-2-[(Z)-1-phenylhept-1-en-2-yl]phenyl]methanol (CID 171989958) is [3-methyl-2-[(Z)-1-phenylhept-1-en-2-yl]phenyl]methanol.
What is the SMILES notation for [3-methyl-2-[(Z)-1-phenylhept-1-en-2-yl]phenyl]methanol?
The canonical SMILES for [3-methyl-2-[(Z)-1-phenylhept-1-en-2-yl]phenyl]methanol is CCCCC/C(=C/c1ccccc1)c1c(C)cccc1CO.
What is the InChIKey of [3-methyl-2-[(Z)-1-phenylhept-1-en-2-yl]phenyl]methanol?
The InChIKey is SWMUNEASQPHABJ-CYVLTUHYSA-N. The full InChI is InChI=1S/C21H26O/c1-3-4-6-13-19(15-18-11-7-5-8-12-18)21-17(2)10-9-14-20(21)16-22/h5,7-12,14-15,22H,3-4,6,13,16H2,1-2H3/b19-15-.
What are the key properties of [3-methyl-2-[(Z)-1-phenylhept-1-en-2-yl]phenyl]methanol?
[3-methyl-2-[(Z)-1-phenylhept-1-en-2-yl]phenyl]methanol has a molecular weight of 294.44 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-[(Z)-1-phenylhept-1-en-2-yl]phenyl]methanol is sourced from PubChem (CID 171989958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).