3-fluoro-4-(4-fluoro-3-methoxyphenyl)phenol

C13H10F2O2 — CID 53219460

IUPAC3-fluoro-4-(4-fluoro-3-methoxyphenyl)phenol
SMILESCOc1cc(-c2ccc(O)cc2F)ccc1F
InChIInChI=1S/C13H10F2O2/c1-17-13-6-8(2-5-11(13)14)10-4-3-9(16)7-12(10)15/h2-7,16H,1H3
InChIKeySCCCEGCSVXWHSG-UHFFFAOYSA-N
MW236.22 g/mol
LogP3.35
Rot. Bonds2

About 3-fluoro-4-(4-fluoro-3-methoxyphenyl)phenol

3-fluoro-4-(4-fluoro-3-methoxyphenyl)phenol (PubChem CID 53219460) has the molecular formula C13H10F2O2 and a molecular weight of 236.22 g/mol. Its IUPAC name is 3-fluoro-4-(4-fluoro-3-methoxyphenyl)phenol.

Molecular Properties

Compound Name3-fluoro-4-(4-fluoro-3-methoxyphenyl)phenol
PubChem CID53219460
Molecular FormulaC13H10F2O2
Molecular Weight236.22 g/mol
Exact Mass236.06
IUPAC Name3-fluoro-4-(4-fluoro-3-methoxyphenyl)phenol
SMILESCOc1cc(-c2ccc(O)cc2F)ccc1F
InChIInChI=1S/C13H10F2O2/c1-17-13-6-8(2-5-11(13)14)10-4-3-9(16)7-12(10)15/h2-7,16H,1H3
InChIKeySCCCEGCSVXWHSG-UHFFFAOYSA-N
XLogP3.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-3-methoxyphenyl)phenol
CID 53218581
3-fluoro-4-(2-methoxyphenyl)phenol
CID 53219300
5-(2-fluoro-4-hydroxyphenyl)-2,3-dimethoxybenzoic acid
CID 82107186
3-fluoro-4-methoxyphenol
CID 14661613
4-(2,4-dimethoxyphenyl)-3-fluorophenol
CID 53219547
3-(4-fluoro-3-methoxyphenyl)-5-methylphenol
CID 53218961
5-(2-fluoro-4-methoxyphenyl)-2-methoxyphenol
CID 53220882
4-(3-chlorophenyl)-3-fluorophenol
CID 53219360
6-(4-hydroxy-2-methoxyphenyl)naphthalen-2-ol
CID 10125342
4-(4-chloro-2-fluorophenyl)phenol
CID 83128689
1,3-dichloro-5-(4-fluoro-3-methoxyphenyl)benzene
CID 134623746
3-fluoro-4-(3-fluorophenyl)phenol
CID 46312656

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-fluoro-3-methoxyphenyl)phenol?
The IUPAC name of 3-fluoro-4-(4-fluoro-3-methoxyphenyl)phenol (CID 53219460) is 3-fluoro-4-(4-fluoro-3-methoxyphenyl)phenol.
What is the SMILES notation for 3-fluoro-4-(4-fluoro-3-methoxyphenyl)phenol?
The canonical SMILES for 3-fluoro-4-(4-fluoro-3-methoxyphenyl)phenol is COc1cc(-c2ccc(O)cc2F)ccc1F.
What is the InChIKey of 3-fluoro-4-(4-fluoro-3-methoxyphenyl)phenol?
The InChIKey is SCCCEGCSVXWHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O2/c1-17-13-6-8(2-5-11(13)14)10-4-3-9(16)7-12(10)15/h2-7,16H,1H3.
What are the key properties of 3-fluoro-4-(4-fluoro-3-methoxyphenyl)phenol?
3-fluoro-4-(4-fluoro-3-methoxyphenyl)phenol has a molecular weight of 236.22 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-fluoro-3-methoxyphenyl)phenol is sourced from PubChem (CID 53219460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).