ethane;4-[(4-fluoro-7-methylcyclohepta-2,4-dien-1-yl)iminomethyl]phenol

C17H22FNO — CID 143251555

IUPACethane;4-[(4-fluoro-7-methylcyclohepta-2,4-dien-1-yl)iminomethyl]phenol
SMILESCC.CC1CC=C(F)C=CC1/N=C/c1ccc(O)cc1
InChIInChI=1S/C15H16FNO.C2H6/c1-11-2-5-13(16)6-9-15(11)17-10-12-3-7-14(18)8-4-12;1-2/h3-11,15,18H,2H2,1H3;1-2H3/b17-10+;
InChIKeyDBPBTVFBHZXMBX-LZMXEPDESA-N
MW275.37 g/mol
LogP4.66
Rot. Bonds2

About ethane;4-[(4-fluoro-7-methylcyclohepta-2,4-dien-1-yl)iminomethyl]phenol

ethane;4-[(4-fluoro-7-methylcyclohepta-2,4-dien-1-yl)iminomethyl]phenol (PubChem CID 143251555) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is ethane;4-[(4-fluoro-7-methylcyclohepta-2,4-dien-1-yl)iminomethyl]phenol.

Molecular Properties

Compound Nameethane;4-[(4-fluoro-7-methylcyclohepta-2,4-dien-1-yl)iminomethyl]phenol
PubChem CID143251555
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Nameethane;4-[(4-fluoro-7-methylcyclohepta-2,4-dien-1-yl)iminomethyl]phenol
SMILESCC.CC1CC=C(F)C=CC1/N=C/c1ccc(O)cc1
InChIInChI=1S/C15H16FNO.C2H6/c1-11-2-5-13(16)6-9-15(11)17-10-12-3-7-14(18)8-4-12;1-2/h3-11,15,18H,2H2,1H3;1-2H3/b17-10+;
InChIKeyDBPBTVFBHZXMBX-LZMXEPDESA-N
XLogP4.66
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[(4-fluoro-7-methylcyclohepta-2,4-dien-1-yl)iminomethyl]phenol?
The IUPAC name of ethane;4-[(4-fluoro-7-methylcyclohepta-2,4-dien-1-yl)iminomethyl]phenol (CID 143251555) is ethane;4-[(4-fluoro-7-methylcyclohepta-2,4-dien-1-yl)iminomethyl]phenol.
What is the SMILES notation for ethane;4-[(4-fluoro-7-methylcyclohepta-2,4-dien-1-yl)iminomethyl]phenol?
The canonical SMILES for ethane;4-[(4-fluoro-7-methylcyclohepta-2,4-dien-1-yl)iminomethyl]phenol is CC.CC1CC=C(F)C=CC1/N=C/c1ccc(O)cc1.
What is the InChIKey of ethane;4-[(4-fluoro-7-methylcyclohepta-2,4-dien-1-yl)iminomethyl]phenol?
The InChIKey is DBPBTVFBHZXMBX-LZMXEPDESA-N. The full InChI is InChI=1S/C15H16FNO.C2H6/c1-11-2-5-13(16)6-9-15(11)17-10-12-3-7-14(18)8-4-12;1-2/h3-11,15,18H,2H2,1H3;1-2H3/b17-10+;.
What are the key properties of ethane;4-[(4-fluoro-7-methylcyclohepta-2,4-dien-1-yl)iminomethyl]phenol?
ethane;4-[(4-fluoro-7-methylcyclohepta-2,4-dien-1-yl)iminomethyl]phenol has a molecular weight of 275.37 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(4-fluoro-7-methylcyclohepta-2,4-dien-1-yl)iminomethyl]phenol is sourced from PubChem (CID 143251555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).