1-methoxy-4-[2-[2-(2-methylprop-2-enyl)phenyl]ethynyl]benzene

C19H18O — CID 102406855

IUPAC1-methoxy-4-[2-[2-(2-methylprop-2-enyl)phenyl]ethynyl]benzene
SMILESC=C(C)Cc1ccccc1C#Cc1ccc(OC)cc1
InChIInChI=1S/C19H18O/c1-15(2)14-18-7-5-4-6-17(18)11-8-16-9-12-19(20-3)13-10-16/h4-7,9-10,12-13H,1,14H2,2-3H3
InChIKeyRMNQFDRIZXAMSU-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.21
Rot. Bonds3

About 1-methoxy-4-[2-[2-(2-methylprop-2-enyl)phenyl]ethynyl]benzene

1-methoxy-4-[2-[2-(2-methylprop-2-enyl)phenyl]ethynyl]benzene (PubChem CID 102406855) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-methoxy-4-[2-[2-(2-methylprop-2-enyl)phenyl]ethynyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[2-[2-(2-methylprop-2-enyl)phenyl]ethynyl]benzene
PubChem CID102406855
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name1-methoxy-4-[2-[2-(2-methylprop-2-enyl)phenyl]ethynyl]benzene
SMILESC=C(C)Cc1ccccc1C#Cc1ccc(OC)cc1
InChIInChI=1S/C19H18O/c1-15(2)14-18-7-5-4-6-17(18)11-8-16-9-12-19(20-3)13-10-16/h4-7,9-10,12-13H,1,14H2,2-3H3
InChIKeyRMNQFDRIZXAMSU-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[[2-[2-(4-methoxyphenyl)ethynyl]phenyl]methyl]carbamate
CID 135072661
2-[2-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]benzonitrile
CID 71419198
N-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-N,2-dimethylprop-2-enamide
CID 154718801
[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-diphenylphosphane
CID 158970449
1-[2-(4-methoxyphenyl)ethynyl]-2-nitrobenzene
CID 11288232
2-[2-(4-methoxyphenyl)ethynyl]benzenediazonium
CID 101251401
1-[2-(4-methoxyphenyl)ethynyl]anthracene
CID 12635754
1-methoxy-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene
CID 132594546
1-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-3-phenylprop-2-yn-1-one
CID 175236811
[2-[2-(4-methoxyphenyl)ethynyl]phenyl]urea
CID 102421213
2-(4-methoxyphenyl)ethynyl-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-dimethylsilane
CID 102153351
2-[2-(2-chlorophenyl)ethynyl]-6-methoxynaphthalene
CID 67211942

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-[2-(2-methylprop-2-enyl)phenyl]ethynyl]benzene?
The IUPAC name of 1-methoxy-4-[2-[2-(2-methylprop-2-enyl)phenyl]ethynyl]benzene (CID 102406855) is 1-methoxy-4-[2-[2-(2-methylprop-2-enyl)phenyl]ethynyl]benzene.
What is the SMILES notation for 1-methoxy-4-[2-[2-(2-methylprop-2-enyl)phenyl]ethynyl]benzene?
The canonical SMILES for 1-methoxy-4-[2-[2-(2-methylprop-2-enyl)phenyl]ethynyl]benzene is C=C(C)Cc1ccccc1C#Cc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[2-[2-(2-methylprop-2-enyl)phenyl]ethynyl]benzene?
The InChIKey is RMNQFDRIZXAMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O/c1-15(2)14-18-7-5-4-6-17(18)11-8-16-9-12-19(20-3)13-10-16/h4-7,9-10,12-13H,1,14H2,2-3H3.
What are the key properties of 1-methoxy-4-[2-[2-(2-methylprop-2-enyl)phenyl]ethynyl]benzene?
1-methoxy-4-[2-[2-(2-methylprop-2-enyl)phenyl]ethynyl]benzene has a molecular weight of 262.35 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2-[2-(2-methylprop-2-enyl)phenyl]ethynyl]benzene is sourced from PubChem (CID 102406855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).