4-(chloromethyl)-3-fluorophenol

C7H6ClFO — CID 54246792

IUPAC4-(chloromethyl)-3-fluorophenol
SMILESOc1ccc(CCl)c(F)c1
InChIInChI=1S/C7H6ClFO/c8-4-5-1-2-6(10)3-7(5)9/h1-3,10H,4H2
InChIKeyQTVBLQFQCAHXII-UHFFFAOYSA-N
MW160.57 g/mol
LogP2.27
Rot. Bonds1

About 4-(chloromethyl)-3-fluorophenol

4-(chloromethyl)-3-fluorophenol (PubChem CID 54246792) has the molecular formula C7H6ClFO and a molecular weight of 160.57 g/mol. Its IUPAC name is 4-(chloromethyl)-3-fluorophenol.

Molecular Properties

Compound Name4-(chloromethyl)-3-fluorophenol
PubChem CID54246792
Molecular FormulaC7H6ClFO
Molecular Weight160.57 g/mol
Exact Mass160.01
IUPAC Name4-(chloromethyl)-3-fluorophenol
SMILESOc1ccc(CCl)c(F)c1
InChIInChI=1S/C7H6ClFO/c8-4-5-1-2-6(10)3-7(5)9/h1-3,10H,4H2
InChIKeyQTVBLQFQCAHXII-UHFFFAOYSA-N
XLogP2.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.57
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(aminooxymethyl)-3-fluorophenol
CID 117276067
3-fluoro-4-[(2-fluorophenoxy)methyl]phenol
CID 117219499
3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol
CID 117219510
4-bromo-1-(chloromethyl)-2-fluorobenzene;methane
CID 174575273
4-(chloromethyl)-3-fluorobenzoic acid
CID 91883061
1-(2,4-difluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)propan-2-one
CID 58272812
3-fluoro-4-(3-methylbutyl)phenol
CID 59755829
1-bromo-3-(2-fluoro-4-hydroxyphenyl)propan-2-one
CID 131093105
4-(ethylsulfonylmethyl)-3-fluorophenol
CID 117219422
3-(2-fluoro-4-hydroxyphenyl)prop-1-en-1-one
CID 91126584
4-(2-fluoro-4-hydroxyphenyl)butanoic acid
CID 83699430
4-chloro-1-(chloromethoxymethyl)-2-fluorobenzene
CID 166609586

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-fluorophenol?
The IUPAC name of 4-(chloromethyl)-3-fluorophenol (CID 54246792) is 4-(chloromethyl)-3-fluorophenol.
What is the SMILES notation for 4-(chloromethyl)-3-fluorophenol?
The canonical SMILES for 4-(chloromethyl)-3-fluorophenol is Oc1ccc(CCl)c(F)c1.
What is the InChIKey of 4-(chloromethyl)-3-fluorophenol?
The InChIKey is QTVBLQFQCAHXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO/c8-4-5-1-2-6(10)3-7(5)9/h1-3,10H,4H2.
What are the key properties of 4-(chloromethyl)-3-fluorophenol?
4-(chloromethyl)-3-fluorophenol has a molecular weight of 160.57 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-fluorophenol is sourced from PubChem (CID 54246792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).