1-methyl-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene

C18H16O — CID 132594542

IUPAC1-methyl-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene
SMILESC=C(C#Cc1ccccc1)COc1ccc(C)cc1
InChIInChI=1S/C18H16O/c1-15-9-12-18(13-10-15)19-14-16(2)8-11-17-6-4-3-5-7-17/h3-7,9-10,12-13H,2,14H2,1H3
InChIKeyIYUZYFWDHKBYHL-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.98
Rot. Bonds3

About 1-methyl-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene

1-methyl-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene (PubChem CID 132594542) has the molecular formula C18H16O and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-methyl-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene.

Molecular Properties

Compound Name1-methyl-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene
PubChem CID132594542
Molecular FormulaC18H16O
Molecular Weight248.32 g/mol
Exact Mass248.12
IUPAC Name1-methyl-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene
SMILESC=C(C#Cc1ccccc1)COc1ccc(C)cc1
InChIInChI=1S/C18H16O/c1-15-9-12-18(13-10-15)19-14-16(2)8-11-17-6-4-3-5-7-17/h3-7,9-10,12-13H,2,14H2,1H3
InChIKeyIYUZYFWDHKBYHL-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene
CID 132594546
2-methylidene-4-phenylbut-3-yn-1-ol
CID 10534945
ethane;1-methyl-4-(2-phenylethynyl)benzene
CID 91544809
lithium;methanidylbenzene;2-(4-methylphenoxy)acetic acid
CID 161400826
3-(methylsulfinylmethyl)but-3-en-1-ynylbenzene
CID 86044232
1-methyl-4-(2-methylidenebut-3-enoxy)benzene;propane
CID 142879845
2-(4-methylphenoxy)-N-(4-methylphenyl)-N-phenylacetamide
CID 70115450
N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide
CID 968398
1-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-2-yn-1-imine
CID 57408596
2-(4-methylphenoxy)ethanethioamide
CID 7745454
1,5-bis(4-methylphenoxy)-2,4-bis(2-phenylethynyl)benzene
CID 71734446
1-methyl-4-(2-phenylsulfanylethoxy)benzene
CID 21280733

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene?
The IUPAC name of 1-methyl-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene (CID 132594542) is 1-methyl-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene.
What is the SMILES notation for 1-methyl-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene?
The canonical SMILES for 1-methyl-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene is C=C(C#Cc1ccccc1)COc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene?
The InChIKey is IYUZYFWDHKBYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c1-15-9-12-18(13-10-15)19-14-16(2)8-11-17-6-4-3-5-7-17/h3-7,9-10,12-13H,2,14H2,1H3.
What are the key properties of 1-methyl-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene?
1-methyl-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene has a molecular weight of 248.32 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene is sourced from PubChem (CID 132594542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).