3-(3,5-difluorophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-7-ol

C23H18F2O2 — CID 155589063

IUPAC3-(3,5-difluorophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-7-ol
SMILESCC1=C(c2cc(F)cc(F)c2)C(c2ccc(C)cc2)Oc2cc(O)ccc21
InChIInChI=1S/C23H18F2O2/c1-13-3-5-15(6-4-13)23-22(16-9-17(24)11-18(25)10-16)14(2)20-8-7-19(26)12-21(20)27-23/h3-12,23,26H,1-2H3
InChIKeyPIQSGUJWBVCUBY-UHFFFAOYSA-N
MW364.39 g/mol
LogP6.04
Rot. Bonds2

About 3-(3,5-difluorophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-7-ol

3-(3,5-difluorophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-7-ol (PubChem CID 155589063) has the molecular formula C23H18F2O2 and a molecular weight of 364.39 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-7-ol.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-7-ol
PubChem CID155589063
Molecular FormulaC23H18F2O2
Molecular Weight364.39 g/mol
Exact Mass364.13
IUPAC Name3-(3,5-difluorophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-7-ol
SMILESCC1=C(c2cc(F)cc(F)c2)C(c2ccc(C)cc2)Oc2cc(O)ccc21
InChIInChI=1S/C23H18F2O2/c1-13-3-5-15(6-4-13)23-22(16-9-17(24)11-18(25)10-16)14(2)20-8-7-19(26)12-21(20)27-23/h3-12,23,26H,1-2H3
InChIKeyPIQSGUJWBVCUBY-UHFFFAOYSA-N
XLogP6.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.39
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(4-methylphenyl)-3-phenyl-2H-chromen-7-ol
CID 176984968
(2R)-3-(3,5-difluorophenyl)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-4-methyl-2H-chromen-6-ol;(2S)-3-(3,5-difluorophenyl)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-4-methyl-2H-chromen-6-ol
CID 159960870
(2R)-2-[3-fluoro-4-[(1-propylazetidin-3-yl)methyl]phenyl]-3-(4-hydroxyphenyl)-4-methyl-2H-chromen-7-ol
CID 122644402
(2S)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(1-propylazetidin-3-yl)oxyphenyl]-2H-chromen-7-ol;sulfane
CID 159375224
(2S)-2-[3-fluoro-4-(1-propylazetidin-3-yl)oxyphenyl]-3-(4-hydroxyphenyl)-4-methyl-2H-chromen-7-ol
CID 122644392
3-(4-hydroxyphenyl)-2,4-dimethyl-2H-chromen-7-ol
CID 145178984
4-[2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-7-hydroxy-4-methyl-2H-chromen-3-yl]benzonitrile
CID 86764356
2-[4-[dideuterio-[1-(3,3,3-trideuteriopropyl)azetidin-3-yl]methyl]phenyl]-3-(4-hydroxyphenyl)-4-methyl-2H-chromen-7-ol
CID 122644364
ethane;4-[2-(4-ethylphenyl)-4-methyl-2H-chromen-3-yl]phenol
CID 167478950
2-[3-[3-chloro-5-[2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-4-methyl-2H-chromen-3-yl]phenyl]-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-(3-fluorophenyl)-4-methyl-2H-chromen-7-ol
CID 129160516
1-[2-[4-[(2S)-4,7-dimethyl-3-(4-methylphenyl)-2H-chromen-2-yl]phenoxy]ethyl]piperidine;ethane
CID 143701534
3-(2,3-difluoro-4-hydroxyphenyl)-4-methyl-2-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-2H-chromen-7-ol
CID 123793948

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-7-ol?
The IUPAC name of 3-(3,5-difluorophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-7-ol (CID 155589063) is 3-(3,5-difluorophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-7-ol.
What is the SMILES notation for 3-(3,5-difluorophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-7-ol?
The canonical SMILES for 3-(3,5-difluorophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-7-ol is CC1=C(c2cc(F)cc(F)c2)C(c2ccc(C)cc2)Oc2cc(O)ccc21.
What is the InChIKey of 3-(3,5-difluorophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-7-ol?
The InChIKey is PIQSGUJWBVCUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2O2/c1-13-3-5-15(6-4-13)23-22(16-9-17(24)11-18(25)10-16)14(2)20-8-7-19(26)12-21(20)27-23/h3-12,23,26H,1-2H3.
What are the key properties of 3-(3,5-difluorophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-7-ol?
3-(3,5-difluorophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-7-ol has a molecular weight of 364.39 g/mol, XLogP of 6.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-4-methyl-2-(4-methylphenyl)-2H-chromen-7-ol is sourced from PubChem (CID 155589063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).