1,2-difluoro-3-methoxy-4-propan-2-ylbenzene

C10H12F2O — CID 123427899

IUPAC1,2-difluoro-3-methoxy-4-propan-2-ylbenzene
SMILESCOc1c(C(C)C)ccc(F)c1F
InChIInChI=1S/C10H12F2O/c1-6(2)7-4-5-8(11)9(12)10(7)13-3/h4-6H,1-3H3
InChIKeyWBHSCYLUUVGVBG-UHFFFAOYSA-N
MW186.20 g/mol
LogP3.10
Rot. Bonds2

About 1,2-difluoro-3-methoxy-4-propan-2-ylbenzene

1,2-difluoro-3-methoxy-4-propan-2-ylbenzene (PubChem CID 123427899) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 1,2-difluoro-3-methoxy-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1,2-difluoro-3-methoxy-4-propan-2-ylbenzene
PubChem CID123427899
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name1,2-difluoro-3-methoxy-4-propan-2-ylbenzene
SMILESCOc1c(C(C)C)ccc(F)c1F
InChIInChI=1S/C10H12F2O/c1-6(2)7-4-5-8(11)9(12)10(7)13-3/h4-6H,1-3H3
InChIKeyWBHSCYLUUVGVBG-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2-difluoro-3-methoxy-4-propan-2-ylbenzene 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

1,2-difluoro-3-phenoxy-4-propan-2-ylbenzene
CID 154591370
2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117310475
1,2-difluoro-3,4-dimethoxybenzene
CID 67100030
CID 151897513
CID 151897513
2,3-difluoro-6-propan-2-ylbenzonitrile
CID 59589200
butane;1,2-difluoro-3-methoxy-4-methylbenzene
CID 166159976
1-(2,4-difluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol
CID 130132864
(3,4-difluoro-2-methoxyphenyl)-methoxyborinic acid
CID 145222116
1-fluoro-2-methoxy-3-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 177172407
2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine
CID 84782781
(5R)-3-(3,4-difluoro-2-methoxyphenyl)-6,6,6-trifluoro-N,5-dihydroxy-N,4,5-trimethylhexanamide
CID 177218381
(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol
CID 63895257

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-methoxy-4-propan-2-ylbenzene?
The IUPAC name of 1,2-difluoro-3-methoxy-4-propan-2-ylbenzene (CID 123427899) is 1,2-difluoro-3-methoxy-4-propan-2-ylbenzene.
What is the SMILES notation for 1,2-difluoro-3-methoxy-4-propan-2-ylbenzene?
The canonical SMILES for 1,2-difluoro-3-methoxy-4-propan-2-ylbenzene is COc1c(C(C)C)ccc(F)c1F.
What is the InChIKey of 1,2-difluoro-3-methoxy-4-propan-2-ylbenzene?
The InChIKey is WBHSCYLUUVGVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c1-6(2)7-4-5-8(11)9(12)10(7)13-3/h4-6H,1-3H3.
What are the key properties of 1,2-difluoro-3-methoxy-4-propan-2-ylbenzene?
1,2-difluoro-3-methoxy-4-propan-2-ylbenzene has a molecular weight of 186.20 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-methoxy-4-propan-2-ylbenzene is sourced from PubChem (CID 123427899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).