7-butyl-1-benzofuran

C12H14O — CID 68789907

IUPAC7-butyl-1-benzofuran
SMILESCCCCc1cccc2ccoc12
InChIInChI=1S/C12H14O/c1-2-3-5-10-6-4-7-11-8-9-13-12(10)11/h4,6-9H,2-3,5H2,1H3
InChIKeyCIHCMTMIPFDMOA-UHFFFAOYSA-N
MW174.24 g/mol
LogP3.78
Rot. Bonds3

About 7-butyl-1-benzofuran

7-butyl-1-benzofuran (PubChem CID 68789907) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 7-butyl-1-benzofuran.

Molecular Properties

Compound Name7-butyl-1-benzofuran
PubChem CID68789907
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name7-butyl-1-benzofuran
SMILESCCCCc1cccc2ccoc12
InChIInChI=1S/C12H14O/c1-2-3-5-10-6-4-7-11-8-9-13-12(10)11/h4,6-9H,2-3,5H2,1H3
InChIKeyCIHCMTMIPFDMOA-UHFFFAOYSA-N
XLogP3.78
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-butyl-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-pentyl-1-benzofuran
CID 90916397
3-(1-benzofuran-7-yl)propan-1-ol
CID 117277310
2-(1-benzofuran-7-yl)ethanesulfonyl chloride
CID 84704690
1-butylnaphthalene;ethane
CID 142087052
7-prop-2-enyl-1-benzofuran
CID 130133071
7-butyl-2,1-benzoxazole
CID 67428244
azane;1-butylnaphthalene;methane
CID 174691035
[4-(1-benzofuran-7-yl)-2-methylbutan-2-yl]carbamic acid
CID 175312979
CID 159940559
CID 159940559
7-(2-methylpentan-2-yl)-1-benzofuran
CID 130310594
6-dodecyl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene
CID 58411511
1,2,3-tributylbenzene;hydrate
CID 172716323

Frequently Asked Questions

What is the IUPAC name of 7-butyl-1-benzofuran?
The IUPAC name of 7-butyl-1-benzofuran (CID 68789907) is 7-butyl-1-benzofuran.
What is the SMILES notation for 7-butyl-1-benzofuran?
The canonical SMILES for 7-butyl-1-benzofuran is CCCCc1cccc2ccoc12.
What is the InChIKey of 7-butyl-1-benzofuran?
The InChIKey is CIHCMTMIPFDMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-2-3-5-10-6-4-7-11-8-9-13-12(10)11/h4,6-9H,2-3,5H2,1H3.
What are the key properties of 7-butyl-1-benzofuran?
7-butyl-1-benzofuran has a molecular weight of 174.24 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-1-benzofuran is sourced from PubChem (CID 68789907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).