2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran

C16H18O — CID 144612981

IUPAC2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran
SMILESC=Cc1oc2ccc(C(C)C)cc2c1/C=C\C
InChIInChI=1S/C16H18O/c1-5-7-13-14-10-12(11(3)4)8-9-16(14)17-15(13)6-2/h5-11H,2H2,1,3-4H3/b7-5-
InChIKeyIZWULYPSVWWRLT-ALCCZGGFSA-N
MW226.32 g/mol
LogP5.23
Rot. Bonds3

About 2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran

2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran (PubChem CID 144612981) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran.

Molecular Properties

Compound Name2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran
PubChem CID144612981
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran
SMILESC=Cc1oc2ccc(C(C)C)cc2c1/C=C\C
InChIInChI=1S/C16H18O/c1-5-7-13-14-10-12(11(3)4)8-9-16(14)17-15(13)6-2/h5-11H,2H2,1,3-4H3/b7-5-
InChIKeyIZWULYPSVWWRLT-ALCCZGGFSA-N
XLogP5.23
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.32
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166906795
2-chloro-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-phenyl-1,3,5-triazine
CID 142384780
2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-methylpyridine
CID 166654735
6,16-di(propan-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 118149873
5-[2-ethenyl-1-[(Z)-prop-1-enyl]-[1]benzofuro[3,2-e][1]benzofuran-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 167256599
2-ethenyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]benzene
CID 142382594
2-ethenyl-4-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran
CID 130336629
3-methyl-2,5-di(propan-2-yl)-1-benzofuran
CID 154693825
3-ethenyl-5-(10-phenylanthracen-9-yl)-2-[(Z)-prop-1-enyl]-1-benzofuran
CID 146215674
2-ethenyl-5-methyl-3,4-bis[(Z)-prop-1-enyl]furan
CID 142510186
3-bromo-2,5-di(propan-2-yl)-1-benzofuran
CID 59463798
[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]boronic acid
CID 144640440

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran?
The IUPAC name of 2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran (CID 144612981) is 2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran.
What is the SMILES notation for 2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran?
The canonical SMILES for 2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran is C=Cc1oc2ccc(C(C)C)cc2c1/C=C\C.
What is the InChIKey of 2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran?
The InChIKey is IZWULYPSVWWRLT-ALCCZGGFSA-N. The full InChI is InChI=1S/C16H18O/c1-5-7-13-14-10-12(11(3)4)8-9-16(14)17-15(13)6-2/h5-11H,2H2,1,3-4H3/b7-5-.
What are the key properties of 2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran?
2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran has a molecular weight of 226.32 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran is sourced from PubChem (CID 144612981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).