1,3-difluoro-2-methyl-5-(3-phenoxypropyl)benzene

C16H16F2O — CID 59931472

IUPAC1,3-difluoro-2-methyl-5-(3-phenoxypropyl)benzene
SMILESCc1c(F)cc(CCCOc2ccccc2)cc1F
InChIInChI=1S/C16H16F2O/c1-12-15(17)10-13(11-16(12)18)6-5-9-19-14-7-3-2-4-8-14/h2-4,7-8,10-11H,5-6,9H2,1H3
InChIKeyWDQZFNDPTXVZNL-UHFFFAOYSA-N
MW262.30 g/mol
LogP4.28
Rot. Bonds5

About 1,3-difluoro-2-methyl-5-(3-phenoxypropyl)benzene

1,3-difluoro-2-methyl-5-(3-phenoxypropyl)benzene (PubChem CID 59931472) has the molecular formula C16H16F2O and a molecular weight of 262.30 g/mol. Its IUPAC name is 1,3-difluoro-2-methyl-5-(3-phenoxypropyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-2-methyl-5-(3-phenoxypropyl)benzene
PubChem CID59931472
Molecular FormulaC16H16F2O
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name1,3-difluoro-2-methyl-5-(3-phenoxypropyl)benzene
SMILESCc1c(F)cc(CCCOc2ccccc2)cc1F
InChIInChI=1S/C16H16F2O/c1-12-15(17)10-13(11-16(12)18)6-5-9-19-14-7-3-2-4-8-14/h2-4,7-8,10-11H,5-6,9H2,1H3
InChIKeyWDQZFNDPTXVZNL-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,3-difluoro-2-methyl-5-(3-phenoxypropyl)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

1,3-difluoro-2-methyl-5-(3-phenylpropoxy)benzene
CID 59931437
1-butyl-3,5-bis(2-phenoxyethyl)benzene
CID 174735966
2-fluoro-1-methyl-4-(4-phenylbutoxy)benzene
CID 107171456
1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane
CID 142106571
1-methyl-4-(5-phenoxypentyl)benzene
CID 19755668
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
N,N-dimethyl-4-(3-phenoxypropyl)aniline
CID 91358469
1-chloro-3-(3-phenoxypropyl)benzene
CID 141357822
[3-fluoro-4-(3-phenoxypropoxy)phenyl]methanol
CID 107690963
3,5-dimethyl-N-(4-phenoxybutyl)aniline
CID 82096327
2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
CID 11680862
CID 66992995
CID 66992995

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-methyl-5-(3-phenoxypropyl)benzene?
The IUPAC name of 1,3-difluoro-2-methyl-5-(3-phenoxypropyl)benzene (CID 59931472) is 1,3-difluoro-2-methyl-5-(3-phenoxypropyl)benzene.
What is the SMILES notation for 1,3-difluoro-2-methyl-5-(3-phenoxypropyl)benzene?
The canonical SMILES for 1,3-difluoro-2-methyl-5-(3-phenoxypropyl)benzene is Cc1c(F)cc(CCCOc2ccccc2)cc1F.
What is the InChIKey of 1,3-difluoro-2-methyl-5-(3-phenoxypropyl)benzene?
The InChIKey is WDQZFNDPTXVZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O/c1-12-15(17)10-13(11-16(12)18)6-5-9-19-14-7-3-2-4-8-14/h2-4,7-8,10-11H,5-6,9H2,1H3.
What are the key properties of 1,3-difluoro-2-methyl-5-(3-phenoxypropyl)benzene?
1,3-difluoro-2-methyl-5-(3-phenoxypropyl)benzene has a molecular weight of 262.30 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-methyl-5-(3-phenoxypropyl)benzene is sourced from PubChem (CID 59931472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).