1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-propan-2-yloxyethanol

C13H18F2O4 — CID 79567663

IUPAC1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-propan-2-yloxyethanol
SMILESCOc1ccc(C(O)COC(C)C)cc1OC(F)F
InChIInChI=1S/C13H18F2O4/c1-8(2)18-7-10(16)9-4-5-11(17-3)12(6-9)19-13(14)15/h4-6,8,10,13,16H,7H2,1-3H3
InChIKeyJWVNXUMZKABODD-UHFFFAOYSA-N
MW276.28 g/mol
LogP2.76
Rot. Bonds7

About 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-propan-2-yloxyethanol

1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-propan-2-yloxyethanol (PubChem CID 79567663) has the molecular formula C13H18F2O4 and a molecular weight of 276.28 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-propan-2-yloxyethanol.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-propan-2-yloxyethanol
PubChem CID79567663
Molecular FormulaC13H18F2O4
Molecular Weight276.28 g/mol
Exact Mass276.12
IUPAC Name1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-propan-2-yloxyethanol
SMILESCOc1ccc(C(O)COC(C)C)cc1OC(F)F
InChIInChI=1S/C13H18F2O4/c1-8(2)18-7-10(16)9-4-5-11(17-3)12(6-9)19-13(14)15/h4-6,8,10,13,16H,7H2,1-3H3
InChIKeyJWVNXUMZKABODD-UHFFFAOYSA-N
XLogP2.76
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(difluoromethoxy)-4-methoxyphenyl]-4,4,4-trifluorobutan-1-ol
CID 64564930
1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol
CID 80605336
1-[3-(difluoromethoxy)-4-methoxyphenyl]hex-4-yn-1-ol
CID 104809372
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
(2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol
CID 66514880
1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1-methylpyrazol-3-yl)ethanol
CID 82868688
2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)ethanol
CID 61055320
2-[[3-(difluoromethoxy)-4-methoxyphenyl]-hydroxymethyl]butanoic acid
CID 62399237
1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 58450006
1-(4-fluorophenyl)-2-propan-2-yloxyethanol
CID 79567387
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 61172596

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-propan-2-yloxyethanol?
The IUPAC name of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-propan-2-yloxyethanol (CID 79567663) is 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-propan-2-yloxyethanol.
What is the SMILES notation for 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-propan-2-yloxyethanol?
The canonical SMILES for 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-propan-2-yloxyethanol is COc1ccc(C(O)COC(C)C)cc1OC(F)F.
What is the InChIKey of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-propan-2-yloxyethanol?
The InChIKey is JWVNXUMZKABODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O4/c1-8(2)18-7-10(16)9-4-5-11(17-3)12(6-9)19-13(14)15/h4-6,8,10,13,16H,7H2,1-3H3.
What are the key properties of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-propan-2-yloxyethanol?
1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-propan-2-yloxyethanol has a molecular weight of 276.28 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-propan-2-yloxyethanol is sourced from PubChem (CID 79567663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).