4-[(2,6-dichloro-3-fluorophenyl)methyl]phenol

C13H9Cl2FO — CID 175432129

IUPAC4-[(2,6-dichloro-3-fluorophenyl)methyl]phenol
SMILESOc1ccc(Cc2c(Cl)ccc(F)c2Cl)cc1
InChIInChI=1S/C13H9Cl2FO/c14-11-5-6-12(16)13(15)10(11)7-8-1-3-9(17)4-2-8/h1-6,17H,7H2
InChIKeyMBJAJXABQPQIBE-UHFFFAOYSA-N
MW271.12 g/mol
LogP4.43
Rot. Bonds2

About 4-[(2,6-dichloro-3-fluorophenyl)methyl]phenol

4-[(2,6-dichloro-3-fluorophenyl)methyl]phenol (PubChem CID 175432129) has the molecular formula C13H9Cl2FO and a molecular weight of 271.12 g/mol. Its IUPAC name is 4-[(2,6-dichloro-3-fluorophenyl)methyl]phenol.

Molecular Properties

Compound Name4-[(2,6-dichloro-3-fluorophenyl)methyl]phenol
PubChem CID175432129
Molecular FormulaC13H9Cl2FO
Molecular Weight271.12 g/mol
Exact Mass270.00
IUPAC Name4-[(2,6-dichloro-3-fluorophenyl)methyl]phenol
SMILESOc1ccc(Cc2c(Cl)ccc(F)c2Cl)cc1
InChIInChI=1S/C13H9Cl2FO/c14-11-5-6-12(16)13(15)10(11)7-8-1-3-9(17)4-2-8/h1-6,17H,7H2
InChIKeyMBJAJXABQPQIBE-UHFFFAOYSA-N
XLogP4.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-[(2,5-dichlorophenyl)methyl]phenol
CID 21272497
1,3-dichloro-4-fluoro-2-(fluoromethyl)benzene
CID 118830415
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
4-[4-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]phenol
CID 22616276
4-chlorophenol
CID 4684
3-chloro-4-fluoro-2-(methylaminomethyl)phenol
CID 83877302
2-(aminooxymethyl)-3-chloro-6-fluorophenol
CID 117282772
2-(3-aminopropyl)-3-chloro-4-fluorophenol
CID 83881714
3-chloro-2-ethyl-4-fluorophenol
CID 75365718
bis(4-chlorophenol);chromium
CID 152534645
4-chloro-3-fluorophenol;3,4-difluorophenol
CID 158558781
4-[[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63845084

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichloro-3-fluorophenyl)methyl]phenol?
The IUPAC name of 4-[(2,6-dichloro-3-fluorophenyl)methyl]phenol (CID 175432129) is 4-[(2,6-dichloro-3-fluorophenyl)methyl]phenol.
What is the SMILES notation for 4-[(2,6-dichloro-3-fluorophenyl)methyl]phenol?
The canonical SMILES for 4-[(2,6-dichloro-3-fluorophenyl)methyl]phenol is Oc1ccc(Cc2c(Cl)ccc(F)c2Cl)cc1.
What is the InChIKey of 4-[(2,6-dichloro-3-fluorophenyl)methyl]phenol?
The InChIKey is MBJAJXABQPQIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FO/c14-11-5-6-12(16)13(15)10(11)7-8-1-3-9(17)4-2-8/h1-6,17H,7H2.
What are the key properties of 4-[(2,6-dichloro-3-fluorophenyl)methyl]phenol?
4-[(2,6-dichloro-3-fluorophenyl)methyl]phenol has a molecular weight of 271.12 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichloro-3-fluorophenyl)methyl]phenol is sourced from PubChem (CID 175432129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).