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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylphenol
CID 178141171
1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
CID 60627894
5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline
CID 39365275
2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]butan-1-ol
CID 178141121
3-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol
CID 60723029
7-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol
CID 63549722
4-[(2-chloro-6-fluorophenyl)methoxy]-3,5-dimethylbenzenecarbothioamide
CID 65472294
N-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 76999636
2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 82051709
3-chloro-2-propylphenol
CID 15747295
2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylpyrazine
CID 178142394
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 61495804

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).