6-methyl-4-propan-2-yl-1,3-dihydro-2-benzofuran

C12H16O — CID 174193585

IUPAC6-methyl-4-propan-2-yl-1,3-dihydro-2-benzofuran
SMILESCc1cc2c(c(C(C)C)c1)COC2
InChIInChI=1S/C12H16O/c1-8(2)11-5-9(3)4-10-6-13-7-12(10)11/h4-5,8H,6-7H2,1-3H3
InChIKeyKCGIKNFGHHEKAZ-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.15
Rot. Bonds1

About 6-methyl-4-propan-2-yl-1,3-dihydro-2-benzofuran

6-methyl-4-propan-2-yl-1,3-dihydro-2-benzofuran (PubChem CID 174193585) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 6-methyl-4-propan-2-yl-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name6-methyl-4-propan-2-yl-1,3-dihydro-2-benzofuran
PubChem CID174193585
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name6-methyl-4-propan-2-yl-1,3-dihydro-2-benzofuran
SMILESCc1cc2c(c(C(C)C)c1)COC2
InChIInChI=1S/C12H16O/c1-8(2)11-5-9(3)4-10-6-13-7-12(10)11/h4-5,8H,6-7H2,1-3H3
InChIKeyKCGIKNFGHHEKAZ-UHFFFAOYSA-N
XLogP3.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine
CID 177282838
5,6-dimethyl-1,3-dihydro-2-benzofuran
CID 59964418
6-propan-2-yl-1,3-dihydrofuro[3,4-c]pyridine
CID 134456134
4,5-dimethyl-1,3-dihydro-2-benzofuran
CID 59398603
N,4-dimethyl-2,6-di(propan-2-yl)aniline
CID 154688627
2-amino-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanol
CID 83884323
6,8-dimethyl-4H-1,3-benzodioxine
CID 89017859
O-[4-methyl-2,6-di(propan-2-yl)phenyl]hydroxylamine
CID 70814269
1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene
CID 58029447
N-(amino-ethyl-oxo-λ6-sulfanylidene)-2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetamide
CID 153389669
3,7-dimethyl-11-phenyl-1,9-di(propan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide
CID 22967870
(6-methyl-1,3-dihydrofuro[3,4-c]pyridin-4-yl)methanol
CID 102326632

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-propan-2-yl-1,3-dihydro-2-benzofuran?
The IUPAC name of 6-methyl-4-propan-2-yl-1,3-dihydro-2-benzofuran (CID 174193585) is 6-methyl-4-propan-2-yl-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 6-methyl-4-propan-2-yl-1,3-dihydro-2-benzofuran?
The canonical SMILES for 6-methyl-4-propan-2-yl-1,3-dihydro-2-benzofuran is Cc1cc2c(c(C(C)C)c1)COC2.
What is the InChIKey of 6-methyl-4-propan-2-yl-1,3-dihydro-2-benzofuran?
The InChIKey is KCGIKNFGHHEKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-8(2)11-5-9(3)4-10-6-13-7-12(10)11/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 6-methyl-4-propan-2-yl-1,3-dihydro-2-benzofuran?
6-methyl-4-propan-2-yl-1,3-dihydro-2-benzofuran has a molecular weight of 176.26 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-propan-2-yl-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 174193585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).