(3E)-3-hexylidene-1H-2-benzofuran

C14H18O — CID 134982783

IUPAC(3E)-3-hexylidene-1H-2-benzofuran
SMILESCCCCC/C=C1/OCc2ccccc21
InChIInChI=1S/C14H18O/c1-2-3-4-5-10-14-13-9-7-6-8-12(13)11-15-14/h6-10H,2-5,11H2,1H3/b14-10+
InChIKeyOZWVZFWMKGBWNA-GXDHUFHOSA-N
MW202.30 g/mol
LogP4.14
Rot. Bonds4

About (3E)-3-hexylidene-1H-2-benzofuran

(3E)-3-hexylidene-1H-2-benzofuran (PubChem CID 134982783) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (3E)-3-hexylidene-1H-2-benzofuran.

Molecular Properties

Compound Name(3E)-3-hexylidene-1H-2-benzofuran
PubChem CID134982783
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(3E)-3-hexylidene-1H-2-benzofuran
SMILESCCCCC/C=C1/OCc2ccccc21
InChIInChI=1S/C14H18O/c1-2-3-4-5-10-14-13-9-7-6-8-12(13)11-15-14/h6-10H,2-5,11H2,1H3/b14-10+
InChIKeyOZWVZFWMKGBWNA-GXDHUFHOSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 59586813
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3-butyl-4-prop-2-enyl-1H-isochromene
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(3Z)-3-octylidene-4H-chromen-2-one
CID 101133440
(1E)-1-hexylideneindene
CID 173434056
(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-diethylpropan-1-amine
CID 139024692
bis(9H-fluorene);pentane
CID 159146463
(3E,4E)-3,4-di(ethylidene)-1H-2-benzoxepin-5-one
CID 130316300
(2Z)-2-(3H-2-benzofuran-1-ylidene)-1-phenylethanone
CID 53384058
3H-2-benzofuran-1-one;ethane
CID 90991348
bis(9H-fluorene);methane;pentane
CID 158815702

Frequently Asked Questions

What is the IUPAC name of (3E)-3-hexylidene-1H-2-benzofuran?
The IUPAC name of (3E)-3-hexylidene-1H-2-benzofuran (CID 134982783) is (3E)-3-hexylidene-1H-2-benzofuran.
What is the SMILES notation for (3E)-3-hexylidene-1H-2-benzofuran?
The canonical SMILES for (3E)-3-hexylidene-1H-2-benzofuran is CCCCC/C=C1/OCc2ccccc21.
What is the InChIKey of (3E)-3-hexylidene-1H-2-benzofuran?
The InChIKey is OZWVZFWMKGBWNA-GXDHUFHOSA-N. The full InChI is InChI=1S/C14H18O/c1-2-3-4-5-10-14-13-9-7-6-8-12(13)11-15-14/h6-10H,2-5,11H2,1H3/b14-10+.
What are the key properties of (3E)-3-hexylidene-1H-2-benzofuran?
(3E)-3-hexylidene-1H-2-benzofuran has a molecular weight of 202.30 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-hexylidene-1H-2-benzofuran is sourced from PubChem (CID 134982783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).