ethane;1-fluoro-4-methylbenzene;4-[(E)-5-methyl-4-methylidenehex-2-en-3-yl]phenol

C23H31FO — CID 142885284

IUPACethane;1-fluoro-4-methylbenzene;4-[(E)-5-methyl-4-methylidenehex-2-en-3-yl]phenol
SMILESC=C(/C(=C\C)c1ccc(O)cc1)C(C)C.CC.Cc1ccc(F)cc1
InChIInChI=1S/C14H18O.C7H7F.C2H6/c1-5-14(11(4)10(2)3)12-6-8-13(15)9-7-12;1-6-2-4-7(8)5-3-6;1-2/h5-10,15H,4H2,1-3H3;2-5H,1H3;1-2H3/b14-5+;;
InChIKeyRCOSTMIIECBWIM-UPWXDAOZSA-N
MW342.50 g/mol
LogP7.17
Rot. Bonds3

About ethane;1-fluoro-4-methylbenzene;4-[(E)-5-methyl-4-methylidenehex-2-en-3-yl]phenol

ethane;1-fluoro-4-methylbenzene;4-[(E)-5-methyl-4-methylidenehex-2-en-3-yl]phenol (PubChem CID 142885284) has the molecular formula C23H31FO and a molecular weight of 342.50 g/mol. Its IUPAC name is ethane;1-fluoro-4-methylbenzene;4-[(E)-5-methyl-4-methylidenehex-2-en-3-yl]phenol.

Molecular Properties

Compound Nameethane;1-fluoro-4-methylbenzene;4-[(E)-5-methyl-4-methylidenehex-2-en-3-yl]phenol
PubChem CID142885284
Molecular FormulaC23H31FO
Molecular Weight342.50 g/mol
Exact Mass342.24
IUPAC Nameethane;1-fluoro-4-methylbenzene;4-[(E)-5-methyl-4-methylidenehex-2-en-3-yl]phenol
SMILESC=C(/C(=C\C)c1ccc(O)cc1)C(C)C.CC.Cc1ccc(F)cc1
InChIInChI=1S/C14H18O.C7H7F.C2H6/c1-5-14(11(4)10(2)3)12-6-8-13(15)9-7-12;1-6-2-4-7(8)5-3-6;1-2/h5-10,15H,4H2,1-3H3;2-5H,1H3;1-2H3/b14-5+;;
InChIKeyRCOSTMIIECBWIM-UPWXDAOZSA-N
XLogP7.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.50
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-4-methylbenzene;4-[(E)-5-methyl-4-methylidenehex-2-en-3-yl]phenol?
The IUPAC name of ethane;1-fluoro-4-methylbenzene;4-[(E)-5-methyl-4-methylidenehex-2-en-3-yl]phenol (CID 142885284) is ethane;1-fluoro-4-methylbenzene;4-[(E)-5-methyl-4-methylidenehex-2-en-3-yl]phenol.
What is the SMILES notation for ethane;1-fluoro-4-methylbenzene;4-[(E)-5-methyl-4-methylidenehex-2-en-3-yl]phenol?
The canonical SMILES for ethane;1-fluoro-4-methylbenzene;4-[(E)-5-methyl-4-methylidenehex-2-en-3-yl]phenol is C=C(/C(=C\C)c1ccc(O)cc1)C(C)C.CC.Cc1ccc(F)cc1.
What is the InChIKey of ethane;1-fluoro-4-methylbenzene;4-[(E)-5-methyl-4-methylidenehex-2-en-3-yl]phenol?
The InChIKey is RCOSTMIIECBWIM-UPWXDAOZSA-N. The full InChI is InChI=1S/C14H18O.C7H7F.C2H6/c1-5-14(11(4)10(2)3)12-6-8-13(15)9-7-12;1-6-2-4-7(8)5-3-6;1-2/h5-10,15H,4H2,1-3H3;2-5H,1H3;1-2H3/b14-5+;;.
What are the key properties of ethane;1-fluoro-4-methylbenzene;4-[(E)-5-methyl-4-methylidenehex-2-en-3-yl]phenol?
ethane;1-fluoro-4-methylbenzene;4-[(E)-5-methyl-4-methylidenehex-2-en-3-yl]phenol has a molecular weight of 342.50 g/mol, XLogP of 7.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-4-methylbenzene;4-[(E)-5-methyl-4-methylidenehex-2-en-3-yl]phenol is sourced from PubChem (CID 142885284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).