4-chloro-2,3-difluoro-6-methyl-5-propan-2-ylphenol

C10H11ClF2O — CID 167152305

IUPAC4-chloro-2,3-difluoro-6-methyl-5-propan-2-ylphenol
SMILESCc1c(O)c(F)c(F)c(Cl)c1C(C)C
InChIInChI=1S/C10H11ClF2O/c1-4(2)6-5(3)10(14)9(13)8(12)7(6)11/h4,14H,1-3H3
InChIKeyYIGSAXZJGYQGLW-UHFFFAOYSA-N
MW220.65 g/mol
LogP3.76
Rot. Bonds1

About 4-chloro-2,3-difluoro-6-methyl-5-propan-2-ylphenol

4-chloro-2,3-difluoro-6-methyl-5-propan-2-ylphenol (PubChem CID 167152305) has the molecular formula C10H11ClF2O and a molecular weight of 220.65 g/mol. Its IUPAC name is 4-chloro-2,3-difluoro-6-methyl-5-propan-2-ylphenol.

Molecular Properties

Compound Name4-chloro-2,3-difluoro-6-methyl-5-propan-2-ylphenol
PubChem CID167152305
Molecular FormulaC10H11ClF2O
Molecular Weight220.65 g/mol
Exact Mass220.05
IUPAC Name4-chloro-2,3-difluoro-6-methyl-5-propan-2-ylphenol
SMILESCc1c(O)c(F)c(F)c(Cl)c1C(C)C
InChIInChI=1S/C10H11ClF2O/c1-4(2)6-5(3)10(14)9(13)8(12)7(6)11/h4,14H,1-3H3
InChIKeyYIGSAXZJGYQGLW-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.65
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,3-dichloro-2,4,5-trifluoro-6-propan-2-ylbenzene
CID 170123735
2,3,4-trichloro-6-fluoro-5-propan-2-ylphenol
CID 156531016
4-chloro-2,3,5-trifluoro-6-propan-2-ylphenol;5-chloro-2,3,4-trifluoro-6-propan-2-ylphenol;2,3-dichloro-4,5-difluoro-6-propan-2-ylphenol;3,4-dichloro-2,5-difluoro-6-propan-2-ylphenol;4,5-dichloro-2,3-difluoro-6-propan-2-ylphenol;2,3,4,5-tetrachloro-6-propan-2-ylphenol;2,3,4,5-tetrafluoro-6-propan-2-ylphenol;2,3,4-trichloro-5-fluoro-6-propan-2-ylphenol;2,3,5-trichloro-4-fluoro-6-propan-2-ylphenol;3,4,5-trichloro-2-fluoro-6-propan-2-ylphenol
CID 163970863
1,2,5-trichloro-3-fluoro-4-methyl-6-propan-2-ylbenzene
CID 167303286
4,6-dimethyl-5-propan-2-ylbenzene-1,2,3-triol
CID 87849370
4,6-dichloro-2-methyl-3-propan-2-ylphenol
CID 130033448
1,3-dichloro-2,4,6-trifluoro-5-propan-2-ylbenzene
CID 170123757
2-methyl-3,5,6-tri(propan-2-yl)benzene-1,4-diol
CID 139946373
2-butan-2-yl-4,6-dichloro-5-fluoro-3-methylphenol
CID 167081741
2,4-dichloro-3,6-difluoro-5-propan-2-ylaniline
CID 156531013
3-chloro-2,4,5-trifluoro-6-propan-2-ylaniline
CID 156531072
sodium 2-chloro-4-ethyl-3,5-dimethyl-6-propan-2-ylphenol
CID 18362565

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,3-difluoro-6-methyl-5-propan-2-ylphenol?
The IUPAC name of 4-chloro-2,3-difluoro-6-methyl-5-propan-2-ylphenol (CID 167152305) is 4-chloro-2,3-difluoro-6-methyl-5-propan-2-ylphenol.
What is the SMILES notation for 4-chloro-2,3-difluoro-6-methyl-5-propan-2-ylphenol?
The canonical SMILES for 4-chloro-2,3-difluoro-6-methyl-5-propan-2-ylphenol is Cc1c(O)c(F)c(F)c(Cl)c1C(C)C.
What is the InChIKey of 4-chloro-2,3-difluoro-6-methyl-5-propan-2-ylphenol?
The InChIKey is YIGSAXZJGYQGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2O/c1-4(2)6-5(3)10(14)9(13)8(12)7(6)11/h4,14H,1-3H3.
What are the key properties of 4-chloro-2,3-difluoro-6-methyl-5-propan-2-ylphenol?
4-chloro-2,3-difluoro-6-methyl-5-propan-2-ylphenol has a molecular weight of 220.65 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,3-difluoro-6-methyl-5-propan-2-ylphenol is sourced from PubChem (CID 167152305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).