(E)-3-(2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one

C16H13FO — CID 19564972

IUPAC(E)-3-(2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(C(=O)/C=C/c2ccccc2F)cc1
InChIInChI=1S/C16H13FO/c1-12-6-8-14(9-7-12)16(18)11-10-13-4-2-3-5-15(13)17/h2-11H,1H3/b11-10+
InChIKeySMFNOJYIEFZVDD-ZHACJKMWSA-N
MW240.28 g/mol
LogP4.03
Rot. Bonds3

About (E)-3-(2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one

(E)-3-(2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one (PubChem CID 19564972) has the molecular formula C16H13FO and a molecular weight of 240.28 g/mol. Its IUPAC name is (E)-3-(2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
PubChem CID19564972
Molecular FormulaC16H13FO
Molecular Weight240.28 g/mol
Exact Mass240.10
IUPAC Name(E)-3-(2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(C(=O)/C=C/c2ccccc2F)cc1
InChIInChI=1S/C16H13FO/c1-12-6-8-14(9-7-12)16(18)11-10-13-4-2-3-5-15(13)17/h2-11H,1H3/b11-10+
InChIKeySMFNOJYIEFZVDD-ZHACJKMWSA-N
XLogP4.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(4-tert-butylphenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 7967097
(E)-3-(2-methylphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19564974
3-(4-bromo-2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 78574149
4-[3-(2-fluorophenyl)prop-2-enoyl]-N,N-dimethylbenzenesulfonamide
CID 4041053
2-[3-(4-methylphenyl)-3-oxoprop-1-enyl]benzoyl chloride
CID 154379955
(E)-3-(2-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-one
CID 17404979
3-(2,3-difluorophenyl)-1-phenylprop-2-en-1-one
CID 72689101
(E)-3-(2-fluorophenyl)-1-[4-(4-methylbenzoyl)piperazin-1-yl]prop-2-en-1-one
CID 39566209
methyl 2-[4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenoxy]acetate
CID 60601226
(E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one
CID 139410586
(E)-3-(2-fluorophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one
CID 19560783
1-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 5240637

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one (CID 19564972) is (E)-3-(2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one is Cc1ccc(C(=O)/C=C/c2ccccc2F)cc1.
What is the InChIKey of (E)-3-(2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one?
The InChIKey is SMFNOJYIEFZVDD-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H13FO/c1-12-6-8-14(9-7-12)16(18)11-10-13-4-2-3-5-15(13)17/h2-11H,1H3/b11-10+.
What are the key properties of (E)-3-(2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one?
(E)-3-(2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one has a molecular weight of 240.28 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 19564972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).