1,4-dimethyl-3-propan-2-yldibenzofuran

C17H18O — CID 144782637

IUPAC1,4-dimethyl-3-propan-2-yldibenzofuran
SMILESCc1c(C(C)C)cc(C)c2c1oc1ccccc12
InChIInChI=1S/C17H18O/c1-10(2)14-9-11(3)16-13-7-5-6-8-15(13)18-17(16)12(14)4/h5-10H,1-4H3
InChIKeySFZNFBHPZHXMHX-UHFFFAOYSA-N
MW238.33 g/mol
LogP5.33
Rot. Bonds1

About 1,4-dimethyl-3-propan-2-yldibenzofuran

1,4-dimethyl-3-propan-2-yldibenzofuran (PubChem CID 144782637) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1,4-dimethyl-3-propan-2-yldibenzofuran.

Molecular Properties

Compound Name1,4-dimethyl-3-propan-2-yldibenzofuran
PubChem CID144782637
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1,4-dimethyl-3-propan-2-yldibenzofuran
SMILESCc1c(C(C)C)cc(C)c2c1oc1ccccc12
InChIInChI=1S/C17H18O/c1-10(2)14-9-11(3)16-13-7-5-6-8-15(13)18-17(16)12(14)4/h5-10H,1-4H3
InChIKeySFZNFBHPZHXMHX-UHFFFAOYSA-N
XLogP5.33
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.33
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-propan-2-yldibenzofuran?
The IUPAC name of 1,4-dimethyl-3-propan-2-yldibenzofuran (CID 144782637) is 1,4-dimethyl-3-propan-2-yldibenzofuran.
What is the SMILES notation for 1,4-dimethyl-3-propan-2-yldibenzofuran?
The canonical SMILES for 1,4-dimethyl-3-propan-2-yldibenzofuran is Cc1c(C(C)C)cc(C)c2c1oc1ccccc12.
What is the InChIKey of 1,4-dimethyl-3-propan-2-yldibenzofuran?
The InChIKey is SFZNFBHPZHXMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-10(2)14-9-11(3)16-13-7-5-6-8-15(13)18-17(16)12(14)4/h5-10H,1-4H3.
What are the key properties of 1,4-dimethyl-3-propan-2-yldibenzofuran?
1,4-dimethyl-3-propan-2-yldibenzofuran has a molecular weight of 238.33 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-propan-2-yldibenzofuran is sourced from PubChem (CID 144782637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).