2-(2-fluorophenyl)benzene-1,3-diol;2-(2-fluorophenyl)-1,3-dimethoxybenzene

C26H22F2O4 — CID 159382015

IUPAC2-(2-fluorophenyl)benzene-1,3-diol;2-(2-fluorophenyl)-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1-c1ccccc1F.Oc1cccc(O)c1-c1ccccc1F
InChIInChI=1S/C14H13FO2.C12H9FO2/c1-16-12-8-5-9-13(17-2)14(12)10-6-3-4-7-11(10)15;13-9-5-2-1-4-8(9)12-10(14)6-3-7-11(12)15/h3-9H,1-2H3;1-7,14-15H
InChIKeyLLAMWKBEQYFLGD-UHFFFAOYSA-N
MW436.45 g/mol
LogP6.41
Rot. Bonds4

About 2-(2-fluorophenyl)benzene-1,3-diol;2-(2-fluorophenyl)-1,3-dimethoxybenzene

2-(2-fluorophenyl)benzene-1,3-diol;2-(2-fluorophenyl)-1,3-dimethoxybenzene (PubChem CID 159382015) has the molecular formula C26H22F2O4 and a molecular weight of 436.45 g/mol. Its IUPAC name is 2-(2-fluorophenyl)benzene-1,3-diol;2-(2-fluorophenyl)-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-(2-fluorophenyl)benzene-1,3-diol;2-(2-fluorophenyl)-1,3-dimethoxybenzene
PubChem CID159382015
Molecular FormulaC26H22F2O4
Molecular Weight436.45 g/mol
Exact Mass436.15
IUPAC Name2-(2-fluorophenyl)benzene-1,3-diol;2-(2-fluorophenyl)-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1-c1ccccc1F.Oc1cccc(O)c1-c1ccccc1F
InChIInChI=1S/C14H13FO2.C12H9FO2/c1-16-12-8-5-9-13(17-2)14(12)10-6-3-4-7-11(10)15;13-9-5-2-1-4-8(9)12-10(14)6-3-7-11(12)15/h3-9H,1-2H3;1-7,14-15H
InChIKeyLLAMWKBEQYFLGD-UHFFFAOYSA-N
XLogP6.41
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.45
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
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CID 122691974
2-(2-fluoro-3-methoxyphenyl)phenol
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1-chloro-2-(2,6-dimethoxyphenyl)-3-fluorobenzene;2-(2-chloro-6-fluorophenyl)benzene-1,3-diol;tungsten
CID 161298518
2-fluoro-4-(2-methoxyphenyl)phenol
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1,2-difluoro-3-(2-methoxyphenyl)benzene
CID 57230342
2-(2,3-difluorophenyl)-6-methoxyphenol
CID 83130446
5-(2-fluoro-6-methoxyphenyl)-3-(2-fluorophenyl)-1H-pyrazole
CID 134329207
2-[2-fluoro-3-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]benzene-1,3-diol;1,2,3,4,5,6,7-heptadeuterio-8-[3-(2,6-dimethoxyphenyl)-2-fluorophenyl]naphthalene
CID 165063971
4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde
CID 116810904
1,3-difluoro-2-(2-methoxyphenyl)benzene;isothiocyanic acid
CID 175606865

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)benzene-1,3-diol;2-(2-fluorophenyl)-1,3-dimethoxybenzene?
The IUPAC name of 2-(2-fluorophenyl)benzene-1,3-diol;2-(2-fluorophenyl)-1,3-dimethoxybenzene (CID 159382015) is 2-(2-fluorophenyl)benzene-1,3-diol;2-(2-fluorophenyl)-1,3-dimethoxybenzene.
What is the SMILES notation for 2-(2-fluorophenyl)benzene-1,3-diol;2-(2-fluorophenyl)-1,3-dimethoxybenzene?
The canonical SMILES for 2-(2-fluorophenyl)benzene-1,3-diol;2-(2-fluorophenyl)-1,3-dimethoxybenzene is COc1cccc(OC)c1-c1ccccc1F.Oc1cccc(O)c1-c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)benzene-1,3-diol;2-(2-fluorophenyl)-1,3-dimethoxybenzene?
The InChIKey is LLAMWKBEQYFLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2.C12H9FO2/c1-16-12-8-5-9-13(17-2)14(12)10-6-3-4-7-11(10)15;13-9-5-2-1-4-8(9)12-10(14)6-3-7-11(12)15/h3-9H,1-2H3;1-7,14-15H.
What are the key properties of 2-(2-fluorophenyl)benzene-1,3-diol;2-(2-fluorophenyl)-1,3-dimethoxybenzene?
2-(2-fluorophenyl)benzene-1,3-diol;2-(2-fluorophenyl)-1,3-dimethoxybenzene has a molecular weight of 436.45 g/mol, XLogP of 6.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)benzene-1,3-diol;2-(2-fluorophenyl)-1,3-dimethoxybenzene is sourced from PubChem (CID 159382015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).