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

C18H16O2 — CID 132594546

IUPAC1-methoxy-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene
SMILESC=C(C#Cc1ccccc1)COc1ccc(OC)cc1
InChIInChI=1S/C18H16O2/c1-15(8-9-16-6-4-3-5-7-16)14-20-18-12-10-17(19-2)11-13-18/h3-7,10-13H,1,14H2,2H3
InChIKeyGMSOYRYRRYSLFR-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.68
Rot. Bonds4

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

1-methoxy-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene (PubChem CID 132594546) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-methoxy-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene.

Molecular Properties

Compound Name1-methoxy-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene
PubChem CID132594546
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name1-methoxy-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene
SMILESC=C(C#Cc1ccccc1)COc1ccc(OC)cc1
InChIInChI=1S/C18H16O2/c1-15(8-9-16-6-4-3-5-7-16)14-20-18-12-10-17(19-2)11-13-18/h3-7,10-13H,1,14H2,2H3
InChIKeyGMSOYRYRRYSLFR-UHFFFAOYSA-N
XLogP3.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene
CID 132594542
2-methylidene-4-phenylbut-3-yn-1-ol
CID 10534945
1-methoxy-4-(3-methyl-2-methylidenebut-3-enoxy)benzene
CID 11117166
1-methoxy-4-(2-phenylethynoxy)benzene
CID 154395272
1-methoxy-4-[2-[2-(2-methylprop-2-enyl)phenyl]ethynyl]benzene
CID 102406855
1,3-bis[2-(4-methoxyphenyl)ethynyl]benzene
CID 170459723
N-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]-1,1-diphenylmethanimine
CID 25260054
3-(4-methoxyphenyl)-1-phenyl(213C)prop-2-yn-1-one
CID 101128988
N-tert-butyl-1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-imine
CID 71659055
1-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-3-phenylprop-2-yn-1-one
CID 175236811
1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol
CID 2931271
1-chloro-4-[3-(methoxymethyl)but-3-en-1-ynyl]benzene
CID 125480476

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene?
The IUPAC name of 1-methoxy-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene (CID 132594546) is 1-methoxy-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene.
What is the SMILES notation for 1-methoxy-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene?
The canonical SMILES for 1-methoxy-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene is C=C(C#Cc1ccccc1)COc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene?
The InChIKey is GMSOYRYRRYSLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-15(8-9-16-6-4-3-5-7-16)14-20-18-12-10-17(19-2)11-13-18/h3-7,10-13H,1,14H2,2H3.
What are the key properties of 1-methoxy-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene?
1-methoxy-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene has a molecular weight of 264.32 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene is sourced from PubChem (CID 132594546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).