4-[(2,3-difluoro-4-methylphenoxy)methyl]-3-methylphenol

C15H14F2O2 — CID 167217978

IUPAC4-[(2,3-difluoro-4-methylphenoxy)methyl]-3-methylphenol
SMILESCc1cc(O)ccc1COc1ccc(C)c(F)c1F
InChIInChI=1S/C15H14F2O2/c1-9-3-6-13(15(17)14(9)16)19-8-11-4-5-12(18)7-10(11)2/h3-7,18H,8H2,1-2H3
InChIKeyZYWXAVQGGSHHAZ-UHFFFAOYSA-N
MW264.27 g/mol
LogP3.87
Rot. Bonds3

About 4-[(2,3-difluoro-4-methylphenoxy)methyl]-3-methylphenol

4-[(2,3-difluoro-4-methylphenoxy)methyl]-3-methylphenol (PubChem CID 167217978) has the molecular formula C15H14F2O2 and a molecular weight of 264.27 g/mol. Its IUPAC name is 4-[(2,3-difluoro-4-methylphenoxy)methyl]-3-methylphenol.

Molecular Properties

Compound Name4-[(2,3-difluoro-4-methylphenoxy)methyl]-3-methylphenol
PubChem CID167217978
Molecular FormulaC15H14F2O2
Molecular Weight264.27 g/mol
Exact Mass264.10
IUPAC Name4-[(2,3-difluoro-4-methylphenoxy)methyl]-3-methylphenol
SMILESCc1cc(O)ccc1COc1ccc(C)c(F)c1F
InChIInChI=1S/C15H14F2O2/c1-9-3-6-13(15(17)14(9)16)19-8-11-4-5-12(18)7-10(11)2/h3-7,18H,8H2,1-2H3
InChIKeyZYWXAVQGGSHHAZ-UHFFFAOYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-fluorophenoxy)methyl]-3-methylphenol
CID 117219687
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
3-[(4-fluoro-2-methylphenyl)methoxy]-2-methylphenol
CID 114346383
[3-fluoro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanol
CID 107690934
4-(2-ethoxyprop-2-enyl)-3-methylphenol
CID 141087727
4-[(5-fluoro-2-methylphenoxy)methyl]-3-methylbenzenecarbothioamide
CID 102981851
2-[(4-bromo-2-methylphenyl)methoxy]phenol
CID 117219489
3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol
CID 117219510
2,3-difluoro-1-[(3-fluoro-4-methylphenoxy)methyl]-4-methylbenzene
CID 163577321
3-fluoro-4-[(2-fluorophenoxy)methyl]phenol
CID 117219499
4-(2-bromoethyl)-3-methylphenol
CID 154476317
1-[(2,3-difluoro-4-hexoxyphenyl)methoxy]-4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-2,3-difluorobenzene
CID 88856456

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-difluoro-4-methylphenoxy)methyl]-3-methylphenol?
The IUPAC name of 4-[(2,3-difluoro-4-methylphenoxy)methyl]-3-methylphenol (CID 167217978) is 4-[(2,3-difluoro-4-methylphenoxy)methyl]-3-methylphenol.
What is the SMILES notation for 4-[(2,3-difluoro-4-methylphenoxy)methyl]-3-methylphenol?
The canonical SMILES for 4-[(2,3-difluoro-4-methylphenoxy)methyl]-3-methylphenol is Cc1cc(O)ccc1COc1ccc(C)c(F)c1F.
What is the InChIKey of 4-[(2,3-difluoro-4-methylphenoxy)methyl]-3-methylphenol?
The InChIKey is ZYWXAVQGGSHHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O2/c1-9-3-6-13(15(17)14(9)16)19-8-11-4-5-12(18)7-10(11)2/h3-7,18H,8H2,1-2H3.
What are the key properties of 4-[(2,3-difluoro-4-methylphenoxy)methyl]-3-methylphenol?
4-[(2,3-difluoro-4-methylphenoxy)methyl]-3-methylphenol has a molecular weight of 264.27 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-difluoro-4-methylphenoxy)methyl]-3-methylphenol is sourced from PubChem (CID 167217978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).