1-(difluoromethoxy)-3-(2-phenoxypropyl)benzene

C16H16F2O2 — CID 145445557

IUPAC1-(difluoromethoxy)-3-(2-phenoxypropyl)benzene
SMILESCC(Cc1cccc(OC(F)F)c1)Oc1ccccc1
InChIInChI=1S/C16H16F2O2/c1-12(19-14-7-3-2-4-8-14)10-13-6-5-9-15(11-13)20-16(17)18/h2-9,11-12,16H,10H2,1H3
InChIKeyDBVAPWOBBKARLG-UHFFFAOYSA-N
MW278.30 g/mol
LogP4.30
Rot. Bonds6

About 1-(difluoromethoxy)-3-(2-phenoxypropyl)benzene

1-(difluoromethoxy)-3-(2-phenoxypropyl)benzene (PubChem CID 145445557) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-(difluoromethoxy)-3-(2-phenoxypropyl)benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-3-(2-phenoxypropyl)benzene
PubChem CID145445557
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name1-(difluoromethoxy)-3-(2-phenoxypropyl)benzene
SMILESCC(Cc1cccc(OC(F)F)c1)Oc1ccccc1
InChIInChI=1S/C16H16F2O2/c1-12(19-14-7-3-2-4-8-14)10-13-6-5-9-15(11-13)20-16(17)18/h2-9,11-12,16H,10H2,1H3
InChIKeyDBVAPWOBBKARLG-UHFFFAOYSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(difluoromethoxy)-3-(2-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

(2R)-3-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-amine
CID 97057965
difluoromethoxybenzene;ethane
CID 142246454
[3-(difluoromethoxy)phenyl]methanol
CID 2736994
2-[3-(difluoromethoxy)phenyl]ethanamine
CID 45091388
1-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxybenzene
CID 63017955
2-[[3-(difluoromethoxy)phenyl]methyl-methylamino]propanoic acid
CID 119134927
N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 117281301
2-[3-(difluoromethoxy)phenyl]acetonitrile
CID 2737017
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
3-(difluoromethoxy)-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114828733
1-(2-phenoxypropyl)-4-phenylmethoxybenzene
CID 150936303
1-(difluoromethoxy)-4-[2-[3-[4-(difluoromethoxy)phenyl]-3-methyl-1-(3-phenoxyphenyl)pentan-2-yl]oxy-3-methyl-1-(3-phenoxyphenyl)pentan-3-yl]benzene
CID 152671772

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-3-(2-phenoxypropyl)benzene?
The IUPAC name of 1-(difluoromethoxy)-3-(2-phenoxypropyl)benzene (CID 145445557) is 1-(difluoromethoxy)-3-(2-phenoxypropyl)benzene.
What is the SMILES notation for 1-(difluoromethoxy)-3-(2-phenoxypropyl)benzene?
The canonical SMILES for 1-(difluoromethoxy)-3-(2-phenoxypropyl)benzene is CC(Cc1cccc(OC(F)F)c1)Oc1ccccc1.
What is the InChIKey of 1-(difluoromethoxy)-3-(2-phenoxypropyl)benzene?
The InChIKey is DBVAPWOBBKARLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-12(19-14-7-3-2-4-8-14)10-13-6-5-9-15(11-13)20-16(17)18/h2-9,11-12,16H,10H2,1H3.
What are the key properties of 1-(difluoromethoxy)-3-(2-phenoxypropyl)benzene?
1-(difluoromethoxy)-3-(2-phenoxypropyl)benzene has a molecular weight of 278.30 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-3-(2-phenoxypropyl)benzene is sourced from PubChem (CID 145445557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).