4-[(4-fluorophenyl)methyl]benzene-1,3-diol

C13H11FO2 — CID 164899043

IUPAC4-[(4-fluorophenyl)methyl]benzene-1,3-diol
SMILESOc1ccc(Cc2ccc(F)cc2)c(O)c1
InChIInChI=1S/C13H11FO2/c14-11-4-1-9(2-5-11)7-10-3-6-12(15)8-13(10)16/h1-6,8,15-16H,7H2
InChIKeyZKZHPFSBDSXZLC-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.83
Rot. Bonds2

About 4-[(4-fluorophenyl)methyl]benzene-1,3-diol

4-[(4-fluorophenyl)methyl]benzene-1,3-diol (PubChem CID 164899043) has the molecular formula C13H11FO2 and a molecular weight of 218.23 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]benzene-1,3-diol
PubChem CID164899043
Molecular FormulaC13H11FO2
Molecular Weight218.23 g/mol
Exact Mass218.07
IUPAC Name4-[(4-fluorophenyl)methyl]benzene-1,3-diol
SMILESOc1ccc(Cc2ccc(F)cc2)c(O)c1
InChIInChI=1S/C13H11FO2/c14-11-4-1-9(2-5-11)7-10-3-6-12(15)8-13(10)16/h1-6,8,15-16H,7H2
InChIKeyZKZHPFSBDSXZLC-UHFFFAOYSA-N
XLogP2.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,4-dihydroxyphenyl)methyl]-1H-pyrrole-2,5-diol
CID 123591745
4-bromo-2-[(4-fluorophenyl)methyl]phenol
CID 68530716
4-[(4-fluorophenyl)methyl]naphthalen-1-ol
CID 70607159
4-(fluoromethyl)benzene-1,3-diol
CID 91883667
2-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol
CID 86005366
6-[(4-fluorophenyl)methyl]-1,3-benzodioxol-5-ol
CID 102584547
2-fluoro-4-[(4-fluorophenyl)methyl]phenol
CID 151291019
3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]phenol
CID 68531408
ethane;4-(fluoromethyl)benzene-1,3-diol
CID 172565118
4-(sulfanylmethyl)benzene-1,3-diol
CID 57214402
4-ethylbenzene-1,3-diol
CID 17927
4-ethylbenzene-1,3-diol;methoxymethane
CID 70585876

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]benzene-1,3-diol?
The IUPAC name of 4-[(4-fluorophenyl)methyl]benzene-1,3-diol (CID 164899043) is 4-[(4-fluorophenyl)methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]benzene-1,3-diol is Oc1ccc(Cc2ccc(F)cc2)c(O)c1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]benzene-1,3-diol?
The InChIKey is ZKZHPFSBDSXZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO2/c14-11-4-1-9(2-5-11)7-10-3-6-12(15)8-13(10)16/h1-6,8,15-16H,7H2.
What are the key properties of 4-[(4-fluorophenyl)methyl]benzene-1,3-diol?
4-[(4-fluorophenyl)methyl]benzene-1,3-diol has a molecular weight of 218.23 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]benzene-1,3-diol is sourced from PubChem (CID 164899043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).