3-[(5-chloro-2-fluorophenyl)methyl]-5-methylphenol

C14H12ClFO — CID 134547009

IUPAC3-[(5-chloro-2-fluorophenyl)methyl]-5-methylphenol
SMILESCc1cc(O)cc(Cc2cc(Cl)ccc2F)c1
InChIInChI=1S/C14H12ClFO/c1-9-4-10(7-13(17)5-9)6-11-8-12(15)2-3-14(11)16/h2-5,7-8,17H,6H2,1H3
InChIKeyIBKLPNUWWDWCRC-UHFFFAOYSA-N
MW250.70 g/mol
LogP4.08
Rot. Bonds2

About 3-[(5-chloro-2-fluorophenyl)methyl]-5-methylphenol

3-[(5-chloro-2-fluorophenyl)methyl]-5-methylphenol (PubChem CID 134547009) has the molecular formula C14H12ClFO and a molecular weight of 250.70 g/mol. Its IUPAC name is 3-[(5-chloro-2-fluorophenyl)methyl]-5-methylphenol.

Molecular Properties

Compound Name3-[(5-chloro-2-fluorophenyl)methyl]-5-methylphenol
PubChem CID134547009
Molecular FormulaC14H12ClFO
Molecular Weight250.70 g/mol
Exact Mass250.06
IUPAC Name3-[(5-chloro-2-fluorophenyl)methyl]-5-methylphenol
SMILESCc1cc(O)cc(Cc2cc(Cl)ccc2F)c1
InChIInChI=1S/C14H12ClFO/c1-9-4-10(7-13(17)5-9)6-11-8-12(15)2-3-14(11)16/h2-5,7-8,17H,6H2,1H3
InChIKeyIBKLPNUWWDWCRC-UHFFFAOYSA-N
XLogP4.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-[(3-chloro-5-hydroxyphenyl)methyl]phenol
CID 21288827
3-[(3-hydroxy-5-methylphenyl)methyl]-4,5-dimethylphenol
CID 134286117
4-chlorophenol;3,5-dimethylphenol
CID 160790221
4-[(5-chloro-2-fluorophenyl)methyl]benzoic acid
CID 116927200
4-[(2,5-dichlorophenyl)methyl]phenol
CID 21272497
2-(5-chloro-2-fluorophenyl)-N'-methylacetohydrazide
CID 116846232
[5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol
CID 54910865
1-(5-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propan-2-one
CID 161028075
2-[(5-chloro-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 103051205
2-[(5-chloro-2-fluorophenyl)methyl]-3-(4-methylphenyl)propan-1-ol
CID 103051196
2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 103053134
[(5-chloro-2-fluorophenyl)methyl-methylamino]methanol
CID 115229181

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-fluorophenyl)methyl]-5-methylphenol?
The IUPAC name of 3-[(5-chloro-2-fluorophenyl)methyl]-5-methylphenol (CID 134547009) is 3-[(5-chloro-2-fluorophenyl)methyl]-5-methylphenol.
What is the SMILES notation for 3-[(5-chloro-2-fluorophenyl)methyl]-5-methylphenol?
The canonical SMILES for 3-[(5-chloro-2-fluorophenyl)methyl]-5-methylphenol is Cc1cc(O)cc(Cc2cc(Cl)ccc2F)c1.
What is the InChIKey of 3-[(5-chloro-2-fluorophenyl)methyl]-5-methylphenol?
The InChIKey is IBKLPNUWWDWCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO/c1-9-4-10(7-13(17)5-9)6-11-8-12(15)2-3-14(11)16/h2-5,7-8,17H,6H2,1H3.
What are the key properties of 3-[(5-chloro-2-fluorophenyl)methyl]-5-methylphenol?
3-[(5-chloro-2-fluorophenyl)methyl]-5-methylphenol has a molecular weight of 250.70 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-fluorophenyl)methyl]-5-methylphenol is sourced from PubChem (CID 134547009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).