4-propan-2-yloxy-1-benzofuran

C11H12O2 — CID 68788950

IUPAC4-propan-2-yloxy-1-benzofuran
SMILESCC(C)Oc1cccc2occc12
InChIInChI=1S/C11H12O2/c1-8(2)13-11-5-3-4-10-9(11)6-7-12-10/h3-8H,1-2H3
InChIKeyTXWWJCFGBMWPKF-UHFFFAOYSA-N
MW176.22 g/mol
LogP3.22
Rot. Bonds2

About 4-propan-2-yloxy-1-benzofuran

4-propan-2-yloxy-1-benzofuran (PubChem CID 68788950) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-propan-2-yloxy-1-benzofuran.

Molecular Properties

Compound Name4-propan-2-yloxy-1-benzofuran
PubChem CID68788950
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name4-propan-2-yloxy-1-benzofuran
SMILESCC(C)Oc1cccc2occc12
InChIInChI=1S/C11H12O2/c1-8(2)13-11-5-3-4-10-9(11)6-7-12-10/h3-8H,1-2H3
InChIKeyTXWWJCFGBMWPKF-UHFFFAOYSA-N
XLogP3.22
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(1-benzofuran-4-yloxy)-N-methyl-3-phenylpropan-1-amine
CID 58630691
11-(1-benzofuran-4-yloxy)undecan-2-amine;hydrochloride
CID 70164769
CID 18764013
CID 18764013
[2,3-di(propan-2-yloxy)phenyl]phosphane
CID 21468187
4-propan-2-yloxy-1-benzofuran-2-carboxylic acid
CID 68711544
4-[(1S)-1-(furan-3-yl)-3-[(1R)-2-methylcyclopropyl]propoxy]-1-benzofuran
CID 146397591
2-bromo-1,3-di(propan-2-yloxy)benzene
CID 102493711
magnesium;4-methanidyl-1-benzofuran;chloride
CID 10797773
4-bromo-1-benzofuran;ethane
CID 166455445
4-(1-benzofuran-4-yloxy)piperidine
CID 84682777
N-(1-benzofuran-3-ylmethyl)-2-propan-2-yloxyaniline
CID 80700432
6-methoxy-7-propan-2-yloxychromen-4-one
CID 134910504

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-1-benzofuran?
The IUPAC name of 4-propan-2-yloxy-1-benzofuran (CID 68788950) is 4-propan-2-yloxy-1-benzofuran.
What is the SMILES notation for 4-propan-2-yloxy-1-benzofuran?
The canonical SMILES for 4-propan-2-yloxy-1-benzofuran is CC(C)Oc1cccc2occc12.
What is the InChIKey of 4-propan-2-yloxy-1-benzofuran?
The InChIKey is TXWWJCFGBMWPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-8(2)13-11-5-3-4-10-9(11)6-7-12-10/h3-8H,1-2H3.
What are the key properties of 4-propan-2-yloxy-1-benzofuran?
4-propan-2-yloxy-1-benzofuran has a molecular weight of 176.22 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-1-benzofuran is sourced from PubChem (CID 68788950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).