(2R,3S,4R)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yloxolane

C15H20F2O2 — CID 175984817

IUPAC(2R,3S,4R)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yloxolane
SMILESCOc1c([C@@H]2CO[C@H](C(C)C)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C15H20F2O2/c1-8(2)14-9(3)11(7-19-14)10-5-6-12(16)13(17)15(10)18-4/h5-6,8-9,11,14H,7H2,1-4H3/t9-,11+,14+/m0/s1
InChIKeyWANIPYNMVNIQNL-DRCTWCGVSA-N
MW270.32 g/mol
LogP3.75
Rot. Bonds3

About (2R,3S,4R)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yloxolane

(2R,3S,4R)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yloxolane (PubChem CID 175984817) has the molecular formula C15H20F2O2 and a molecular weight of 270.32 g/mol. Its IUPAC name is (2R,3S,4R)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yloxolane.

Molecular Properties

Compound Name(2R,3S,4R)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yloxolane
PubChem CID175984817
Molecular FormulaC15H20F2O2
Molecular Weight270.32 g/mol
Exact Mass270.14
IUPAC Name(2R,3S,4R)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yloxolane
SMILESCOc1c([C@@H]2CO[C@H](C(C)C)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C15H20F2O2/c1-8(2)14-9(3)11(7-19-14)10-5-6-12(16)13(17)15(10)18-4/h5-6,8-9,11,14H,7H2,1-4H3/t9-,11+,14+/m0/s1
InChIKeyWANIPYNMVNIQNL-DRCTWCGVSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,3S,4R)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yloxolane 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

(2S,3S,4S)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yloxolane
CID 175984804
4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyloxolane
CID 156750267
[[4-(3,4-difluoro-2-methoxyphenyl)-3-methyloxolan-2-yl]-difluoromethyl]phosphane
CID 177218396
6-[(3S,4S,5R)-4,5-dimethyloxolan-3-yl]-2,3-difluorophenol
CID 167221232
3-(3,4-difluoro-2-methoxyphenyl)-5-methylthiolane-2-carboxylic acid
CID 176893438
2-(2,4-difluoro-3-methoxyphenyl)-1,3-dioxolane
CID 162421197
1,2-difluoro-3-methoxy-4-propan-2-ylbenzene
CID 123427899
3-(3,4-difluoro-2-methoxyphenyl)-4-methyl-5-propan-2-yl-N-pyridin-3-yloxolane-2-carboxamide
CID 175542256
1,2-difluoro-3,4-dimethoxybenzene
CID 67100030
(2S,3R,5S)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(1S,2S)-1,2-dihydroxypropyl]-4-pyridinyl]-5-methyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167212315
(2R)-4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane;1H-imidazo[4,5-c]pyridin-4-amine
CID 177218455
CID 151897513
CID 151897513

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yloxolane?
The IUPAC name of (2R,3S,4R)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yloxolane (CID 175984817) is (2R,3S,4R)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yloxolane.
What is the SMILES notation for (2R,3S,4R)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yloxolane?
The canonical SMILES for (2R,3S,4R)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yloxolane is COc1c([C@@H]2CO[C@H](C(C)C)[C@H]2C)ccc(F)c1F.
What is the InChIKey of (2R,3S,4R)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yloxolane?
The InChIKey is WANIPYNMVNIQNL-DRCTWCGVSA-N. The full InChI is InChI=1S/C15H20F2O2/c1-8(2)14-9(3)11(7-19-14)10-5-6-12(16)13(17)15(10)18-4/h5-6,8-9,11,14H,7H2,1-4H3/t9-,11+,14+/m0/s1.
What are the key properties of (2R,3S,4R)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yloxolane?
(2R,3S,4R)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yloxolane has a molecular weight of 270.32 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yloxolane is sourced from PubChem (CID 175984817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).