(E)-4-(4-fluoro-3-hydroxyphenyl)-1-(2-phenylmethoxyphenyl)but-3-en-2-one

C23H19FO3 — CID 162168927

IUPAC(E)-4-(4-fluoro-3-hydroxyphenyl)-1-(2-phenylmethoxyphenyl)but-3-en-2-one
SMILESO=C(/C=C/c1ccc(F)c(O)c1)Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C23H19FO3/c24-21-13-11-17(14-22(21)26)10-12-20(25)15-19-8-4-5-9-23(19)27-16-18-6-2-1-3-7-18/h1-14,26H,15-16H2/b12-10+
InChIKeyZNNBTQNIJJRZLW-ZRDIBKRKSA-N
MW362.40 g/mol
LogP4.94
Rot. Bonds7

About (E)-4-(4-fluoro-3-hydroxyphenyl)-1-(2-phenylmethoxyphenyl)but-3-en-2-one

(E)-4-(4-fluoro-3-hydroxyphenyl)-1-(2-phenylmethoxyphenyl)but-3-en-2-one (PubChem CID 162168927) has the molecular formula C23H19FO3 and a molecular weight of 362.40 g/mol. Its IUPAC name is (E)-4-(4-fluoro-3-hydroxyphenyl)-1-(2-phenylmethoxyphenyl)but-3-en-2-one.

Molecular Properties

Compound Name(E)-4-(4-fluoro-3-hydroxyphenyl)-1-(2-phenylmethoxyphenyl)but-3-en-2-one
PubChem CID162168927
Molecular FormulaC23H19FO3
Molecular Weight362.40 g/mol
Exact Mass362.13
IUPAC Name(E)-4-(4-fluoro-3-hydroxyphenyl)-1-(2-phenylmethoxyphenyl)but-3-en-2-one
SMILESO=C(/C=C/c1ccc(F)c(O)c1)Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C23H19FO3/c24-21-13-11-17(14-22(21)26)10-12-20(25)15-19-8-4-5-9-23(19)27-16-18-6-2-1-3-7-18/h1-14,26H,15-16H2/b12-10+
InChIKeyZNNBTQNIJJRZLW-ZRDIBKRKSA-N
XLogP4.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(4-fluoro-3-hydroxyphenyl)-1-[2-(phenoxymethyl)phenyl]but-3-en-2-one
CID 58387430
(E)-1-(3-chloro-2-phenylmethoxyphenyl)-4-(3-hydroxy-4-methoxyphenyl)but-3-en-2-one
CID 58387418
(E)-3-(4-hydroxy-3-phenylmethoxyphenyl)prop-2-enoic acid
CID 89404903
3-[4-[(2-fluorophenoxy)methyl]phenyl]prop-2-enoic acid
CID 76908430
(E)-6-[3,4-bis(phenylmethoxy)phenyl]-3-methylhex-5-ene-2,4-dione
CID 123400181
ethyl 3-[4-[(2-phenylmethoxyphenyl)methyl]phenyl]prop-2-enoate
CID 91099844
(Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 2478599
3-[3-fluoro-4-[(2-fluorophenoxy)methyl]phenyl]prop-2-enoic acid
CID 76908431
3-(4-chlorophenyl)-1-[2-hydroxy-4,6-bis(phenylmethoxy)phenyl]prop-2-en-1-one
CID 163323163
(1Z,4E)-5-[3,4-bis(phenylmethoxy)phenyl]-1-hydroxy-1-(2-hydroxy-6-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 11250218
4-[(1E)-3-ethoxybuta-1,3-dienyl]-2-fluoro-1-phenylmethoxybenzene
CID 89319085
1-[4-(diethylamino)-2-phenylmethoxyphenyl]-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68555395

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-fluoro-3-hydroxyphenyl)-1-(2-phenylmethoxyphenyl)but-3-en-2-one?
The IUPAC name of (E)-4-(4-fluoro-3-hydroxyphenyl)-1-(2-phenylmethoxyphenyl)but-3-en-2-one (CID 162168927) is (E)-4-(4-fluoro-3-hydroxyphenyl)-1-(2-phenylmethoxyphenyl)but-3-en-2-one.
What is the SMILES notation for (E)-4-(4-fluoro-3-hydroxyphenyl)-1-(2-phenylmethoxyphenyl)but-3-en-2-one?
The canonical SMILES for (E)-4-(4-fluoro-3-hydroxyphenyl)-1-(2-phenylmethoxyphenyl)but-3-en-2-one is O=C(/C=C/c1ccc(F)c(O)c1)Cc1ccccc1OCc1ccccc1.
What is the InChIKey of (E)-4-(4-fluoro-3-hydroxyphenyl)-1-(2-phenylmethoxyphenyl)but-3-en-2-one?
The InChIKey is ZNNBTQNIJJRZLW-ZRDIBKRKSA-N. The full InChI is InChI=1S/C23H19FO3/c24-21-13-11-17(14-22(21)26)10-12-20(25)15-19-8-4-5-9-23(19)27-16-18-6-2-1-3-7-18/h1-14,26H,15-16H2/b12-10+.
What are the key properties of (E)-4-(4-fluoro-3-hydroxyphenyl)-1-(2-phenylmethoxyphenyl)but-3-en-2-one?
(E)-4-(4-fluoro-3-hydroxyphenyl)-1-(2-phenylmethoxyphenyl)but-3-en-2-one has a molecular weight of 362.40 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-fluoro-3-hydroxyphenyl)-1-(2-phenylmethoxyphenyl)but-3-en-2-one is sourced from PubChem (CID 162168927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).