5-[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-2-propylphenol;ethane

C19H24ClFO2 — CID 178141535

IUPAC5-[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-2-propylphenol;ethane
SMILESCC.CCCc1c(C)cc(OCc2c(F)cccc2Cl)cc1O
InChIInChI=1S/C17H18ClFO2.C2H6/c1-3-5-13-11(2)8-12(9-17(13)20)21-10-14-15(18)6-4-7-16(14)19;1-2/h4,6-9,20H,3,5,10H2,1-2H3;1-2H3
InChIKeySUUFKNRIWQCNJI-UHFFFAOYSA-N
MW338.85 g/mol
LogP6.05
Rot. Bonds5

About 5-[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-2-propylphenol;ethane

5-[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-2-propylphenol;ethane (PubChem CID 178141535) has the molecular formula C19H24ClFO2 and a molecular weight of 338.85 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-2-propylphenol;ethane.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-2-propylphenol;ethane
PubChem CID178141535
Molecular FormulaC19H24ClFO2
Molecular Weight338.85 g/mol
Exact Mass338.14
IUPAC Name5-[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-2-propylphenol;ethane
SMILESCC.CCCc1c(C)cc(OCc2c(F)cccc2Cl)cc1O
InChIInChI=1S/C17H18ClFO2.C2H6/c1-3-5-13-11(2)8-12(9-17(13)20)21-10-14-15(18)6-4-7-16(14)19;1-2/h4,6-9,20H,3,5,10H2,1-2H3;1-2H3
InChIKeySUUFKNRIWQCNJI-UHFFFAOYSA-N
XLogP6.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.85
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-2-propylphenol;ethane?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-2-propylphenol;ethane (CID 178141535) is 5-[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-2-propylphenol;ethane.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-2-propylphenol;ethane?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-2-propylphenol;ethane is CC.CCCc1c(C)cc(OCc2c(F)cccc2Cl)cc1O.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-2-propylphenol;ethane?
The InChIKey is SUUFKNRIWQCNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO2.C2H6/c1-3-5-13-11(2)8-12(9-17(13)20)21-10-14-15(18)6-4-7-16(14)19;1-2/h4,6-9,20H,3,5,10H2,1-2H3;1-2H3.
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-2-propylphenol;ethane?
5-[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-2-propylphenol;ethane has a molecular weight of 338.85 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-2-propylphenol;ethane is sourced from PubChem (CID 178141535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).