(4-benzoyl-4-fluorocyclohexa-1,5-dien-1-yl)-(4-hydroxyphenyl)methanone

C20H15FO3 — CID 70407739

IUPAC(4-benzoyl-4-fluorocyclohexa-1,5-dien-1-yl)-(4-hydroxyphenyl)methanone
SMILESO=C(C1=CCC(F)(C(=O)c2ccccc2)C=C1)c1ccc(O)cc1
InChIInChI=1S/C20H15FO3/c21-20(19(24)16-4-2-1-3-5-16)12-10-15(11-13-20)18(23)14-6-8-17(22)9-7-14/h1-12,22H,13H2
InChIKeyJWHYYVJYXSCWEU-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.05
Rot. Bonds4

About (4-benzoyl-4-fluorocyclohexa-1,5-dien-1-yl)-(4-hydroxyphenyl)methanone

(4-benzoyl-4-fluorocyclohexa-1,5-dien-1-yl)-(4-hydroxyphenyl)methanone (PubChem CID 70407739) has the molecular formula C20H15FO3 and a molecular weight of 322.34 g/mol. Its IUPAC name is (4-benzoyl-4-fluorocyclohexa-1,5-dien-1-yl)-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-benzoyl-4-fluorocyclohexa-1,5-dien-1-yl)-(4-hydroxyphenyl)methanone
PubChem CID70407739
Molecular FormulaC20H15FO3
Molecular Weight322.34 g/mol
Exact Mass322.10
IUPAC Name(4-benzoyl-4-fluorocyclohexa-1,5-dien-1-yl)-(4-hydroxyphenyl)methanone
SMILESO=C(C1=CCC(F)(C(=O)c2ccccc2)C=C1)c1ccc(O)cc1
InChIInChI=1S/C20H15FO3/c21-20(19(24)16-4-2-1-3-5-16)12-10-15(11-13-20)18(23)14-6-8-17(22)9-7-14/h1-12,22H,13H2
InChIKeyJWHYYVJYXSCWEU-UHFFFAOYSA-N
XLogP4.05
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,4-difluorocyclohexa-2,4-dien-1-yl)-phenylmethanone
CID 19864016
(4-chloro-4-fluorocyclohexa-1,5-dien-1-yl)-phenylmethanone
CID 70090183
bis(carbonochloridic acid);(4,4-dihydroxycyclohexa-1,5-dien-1-yl)-phenylmethanone
CID 160659155
4-benzoylcyclohexa-2,4-diene-1,1-dicarbonyl chloride
CID 88606159
bis(4-benzoyl-4-methylcyclohexa-1,5-dien-1-yl)methanone
CID 67009867
(4-hydroxyphenyl)-phenylmethanone
CID 139062648
(4-benzoyl-1-prop-2-enoyloxycyclohexa-2,4-dien-1-yl) prop-2-enoate
CID 67981244
(4-benzyl-4-chlorocyclohexa-1,5-dien-1-yl)-phenylmethanone
CID 67224165
[4,4-bis[bis(ethenyl)amino]cyclohexa-1,5-dien-1-yl]-phenylmethanone
CID 67900107
(4-benzoyl-1-bromocyclohexa-2,4-dien-1-yl) prop-2-enoate
CID 175019991
[4-chloro-4-(2-phenylethyl)cyclohexa-1,5-dien-1-yl]-phenylmethanone
CID 174486763
[4,4-bis[bis(prop-2-enyl)amino]cyclohexa-1,5-dien-1-yl]-phenylmethanone
CID 68762259

Frequently Asked Questions

What is the IUPAC name of (4-benzoyl-4-fluorocyclohexa-1,5-dien-1-yl)-(4-hydroxyphenyl)methanone?
The IUPAC name of (4-benzoyl-4-fluorocyclohexa-1,5-dien-1-yl)-(4-hydroxyphenyl)methanone (CID 70407739) is (4-benzoyl-4-fluorocyclohexa-1,5-dien-1-yl)-(4-hydroxyphenyl)methanone.
What is the SMILES notation for (4-benzoyl-4-fluorocyclohexa-1,5-dien-1-yl)-(4-hydroxyphenyl)methanone?
The canonical SMILES for (4-benzoyl-4-fluorocyclohexa-1,5-dien-1-yl)-(4-hydroxyphenyl)methanone is O=C(C1=CCC(F)(C(=O)c2ccccc2)C=C1)c1ccc(O)cc1.
What is the InChIKey of (4-benzoyl-4-fluorocyclohexa-1,5-dien-1-yl)-(4-hydroxyphenyl)methanone?
The InChIKey is JWHYYVJYXSCWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FO3/c21-20(19(24)16-4-2-1-3-5-16)12-10-15(11-13-20)18(23)14-6-8-17(22)9-7-14/h1-12,22H,13H2.
What are the key properties of (4-benzoyl-4-fluorocyclohexa-1,5-dien-1-yl)-(4-hydroxyphenyl)methanone?
(4-benzoyl-4-fluorocyclohexa-1,5-dien-1-yl)-(4-hydroxyphenyl)methanone has a molecular weight of 322.34 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoyl-4-fluorocyclohexa-1,5-dien-1-yl)-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 70407739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).