1-(3-methylbut-1-enyl)benzo[e][1]benzofuran

C17H16O — CID 173339815

IUPAC1-(3-methylbut-1-enyl)benzo[e][1]benzofuran
SMILESCC(C)C=Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C17H16O/c1-12(2)7-8-14-11-18-16-10-9-13-5-3-4-6-15(13)17(14)16/h3-12H,1-2H3
InChIKeyGNGKYPYNUGQQBK-UHFFFAOYSA-N
MW236.31 g/mol
LogP5.26
Rot. Bonds2

About 1-(3-methylbut-1-enyl)benzo[e][1]benzofuran

1-(3-methylbut-1-enyl)benzo[e][1]benzofuran (PubChem CID 173339815) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(3-methylbut-1-enyl)benzo[e][1]benzofuran.

Molecular Properties

Compound Name1-(3-methylbut-1-enyl)benzo[e][1]benzofuran
PubChem CID173339815
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name1-(3-methylbut-1-enyl)benzo[e][1]benzofuran
SMILESCC(C)C=Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C17H16O/c1-12(2)7-8-14-11-18-16-10-9-13-5-3-4-6-15(13)17(14)16/h3-12H,1-2H3
InChIKeyGNGKYPYNUGQQBK-UHFFFAOYSA-N
XLogP5.26
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.31
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methylbenzo[e][1]benzofuran
CID 13085655
benzo[e][1]benzofuran-1-ylmethanol
CID 13405240
1-naphthalen-2-ylbenzo[e][1]benzofuran
CID 151742826
1-prop-2-enylbenzo[e][1]benzofuran
CID 57196603
1-(2-methylnaphthalen-1-yl)benzo[e][1]benzofuran
CID 175881286
2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]iminomethyl]benzo[f]chromen-1-one
CID 132572532
CID 158344314
CID 158344314
(E)-4-(2-methoxynaphthalen-1-yl)but-3-en-2-amine
CID 103091403
13-methyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 11457340
1-(2-bromophenyl)benzo[e][1]benzofuran
CID 12028023
2-benzo[e][1]benzofuran-1-yl-N-methoxy-N-methylacetamide
CID 18109883
1-(furan-2-yl)-2-methylbenzo[e][1]benzofuran
CID 102518154

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-1-enyl)benzo[e][1]benzofuran?
The IUPAC name of 1-(3-methylbut-1-enyl)benzo[e][1]benzofuran (CID 173339815) is 1-(3-methylbut-1-enyl)benzo[e][1]benzofuran.
What is the SMILES notation for 1-(3-methylbut-1-enyl)benzo[e][1]benzofuran?
The canonical SMILES for 1-(3-methylbut-1-enyl)benzo[e][1]benzofuran is CC(C)C=Cc1coc2ccc3ccccc3c12.
What is the InChIKey of 1-(3-methylbut-1-enyl)benzo[e][1]benzofuran?
The InChIKey is GNGKYPYNUGQQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-12(2)7-8-14-11-18-16-10-9-13-5-3-4-6-15(13)17(14)16/h3-12H,1-2H3.
What are the key properties of 1-(3-methylbut-1-enyl)benzo[e][1]benzofuran?
1-(3-methylbut-1-enyl)benzo[e][1]benzofuran has a molecular weight of 236.31 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-1-enyl)benzo[e][1]benzofuran is sourced from PubChem (CID 173339815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).