1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene

C16H17FO — CID 60627565

IUPAC1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene
SMILESCC(C)c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C16H17FO/c1-12(2)13-7-9-15(10-8-13)18-11-14-5-3-4-6-16(14)17/h3-10,12H,11H2,1-2H3
InChIKeyZZPUMNGCPMKZFZ-UHFFFAOYSA-N
MW244.31 g/mol
LogP4.53
Rot. Bonds4

About 1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene

1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene (PubChem CID 60627565) has the molecular formula C16H17FO and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene
PubChem CID60627565
Molecular FormulaC16H17FO
Molecular Weight244.31 g/mol
Exact Mass244.13
IUPAC Name1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene
SMILESCC(C)c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C16H17FO/c1-12(2)13-7-9-15(10-8-13)18-11-14-5-3-4-6-16(14)17/h3-10,12H,11H2,1-2H3
InChIKeyZZPUMNGCPMKZFZ-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene 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

1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 43279242
methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanoate
CID 171865239
[4-[(2-fluorophenyl)methoxy]phenyl]-methyl-methylideneazanium
CID 123448679
(1R)-1-[3-[(2-fluorophenyl)methoxy]phenyl]ethanol
CID 55189004
4-fluoro-3-[(4-propan-2-ylphenoxy)methyl]benzoic acid
CID 63530478
N-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropyl]acetamide
CID 170831246
1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene
CID 63434643
1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63937758
1-[4-[(2-chlorophenyl)methoxy]phenyl]ethanamine
CID 43189009
(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 104980107
(1R)-1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63937359
(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 104980144

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene?
The IUPAC name of 1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene (CID 60627565) is 1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene.
What is the SMILES notation for 1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene?
The canonical SMILES for 1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene is CC(C)c1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of 1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene?
The InChIKey is ZZPUMNGCPMKZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO/c1-12(2)13-7-9-15(10-8-13)18-11-14-5-3-4-6-16(14)17/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene?
1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene has a molecular weight of 244.31 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene is sourced from PubChem (CID 60627565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).