3-(2,2-difluoroethoxy)-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol

C14H16F2O3 — CID 103147842

IUPAC3-(2,2-difluoroethoxy)-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol
SMILESCc1cccc2cc(C(O)CCOCC(F)F)oc12
InChIInChI=1S/C14H16F2O3/c1-9-3-2-4-10-7-12(19-14(9)10)11(17)5-6-18-8-13(15)16/h2-4,7,11,13,17H,5-6,8H2,1H3
InChIKeyCOZJRUDZVWJVND-UHFFFAOYSA-N
MW270.27 g/mol
LogP3.45
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol

3-(2,2-difluoroethoxy)-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol (PubChem CID 103147842) has the molecular formula C14H16F2O3 and a molecular weight of 270.27 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol
PubChem CID103147842
Molecular FormulaC14H16F2O3
Molecular Weight270.27 g/mol
Exact Mass270.11
IUPAC Name3-(2,2-difluoroethoxy)-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol
SMILESCc1cccc2cc(C(O)CCOCC(F)F)oc12
InChIInChI=1S/C14H16F2O3/c1-9-3-2-4-10-7-12(19-14(9)10)11(17)5-6-18-8-13(15)16/h2-4,7,11,13,17H,5-6,8H2,1H3
InChIKeyCOZJRUDZVWJVND-UHFFFAOYSA-N
XLogP3.45
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanol
CID 114726451
1-(7-methyl-1-benzofuran-2-yl)-4-phenylbutan-1-ol
CID 105129309
3-methoxy-3-methyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-ol
CID 103027711
3,3,3-trifluoro-1-(7-methyl-1-benzofuran-2-yl)-2-(trifluoromethyl)propan-1-ol
CID 103312648
3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 114728058
1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol
CID 105129255
[1-(7-methyl-1-benzofuran-2-yl)-2-propoxyethyl]hydrazine
CID 105209906
(1S)-1-(7-methyl-1-benzofuran-2-yl)-2-nitroethanol
CID 132500627
1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114726617
2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol
CID 114726335
1-(7-methyl-1-benzofuran-2-yl)-3-phenoxypropan-1-amine
CID 114727504
3,5,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-ol
CID 115836469

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol (CID 103147842) is 3-(2,2-difluoroethoxy)-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol is Cc1cccc2cc(C(O)CCOCC(F)F)oc12.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol?
The InChIKey is COZJRUDZVWJVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O3/c1-9-3-2-4-10-7-12(19-14(9)10)11(17)5-6-18-8-13(15)16/h2-4,7,11,13,17H,5-6,8H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol?
3-(2,2-difluoroethoxy)-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol has a molecular weight of 270.27 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol is sourced from PubChem (CID 103147842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).