1-ethyl-2-[2-[2-(methoxymethyl)phenyl]ethynyl]benzene

C18H18O — CID 139455003

IUPAC1-ethyl-2-[2-[2-(methoxymethyl)phenyl]ethynyl]benzene
SMILESCCc1ccccc1C#Cc1ccccc1COC
InChIInChI=1S/C18H18O/c1-3-15-8-4-5-9-16(15)12-13-17-10-6-7-11-18(17)14-19-2/h4-11H,3,14H2,1-2H3
InChIKeyLXKRGXCAZPQCPO-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.80
Rot. Bonds3

About 1-ethyl-2-[2-[2-(methoxymethyl)phenyl]ethynyl]benzene

1-ethyl-2-[2-[2-(methoxymethyl)phenyl]ethynyl]benzene (PubChem CID 139455003) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-ethyl-2-[2-[2-(methoxymethyl)phenyl]ethynyl]benzene.

Molecular Properties

Compound Name1-ethyl-2-[2-[2-(methoxymethyl)phenyl]ethynyl]benzene
PubChem CID139455003
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name1-ethyl-2-[2-[2-(methoxymethyl)phenyl]ethynyl]benzene
SMILESCCc1ccccc1C#Cc1ccccc1COC
InChIInChI=1S/C18H18O/c1-3-15-8-4-5-9-16(15)12-13-17-10-6-7-11-18(17)14-19-2/h4-11H,3,14H2,1-2H3
InChIKeyLXKRGXCAZPQCPO-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.80
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-ethyl-2-(3-methoxyprop-1-ynyl)benzene
CID 91875161
3-[4-[2-[2-(methoxymethyl)phenyl]ethynyl]phenyl]propanoic acid
CID 71562638
[3-[2-(methoxymethyl)phenyl]-1-phenylprop-2-ynyl] acetate
CID 102032197
bis(2-ethylphenyl)-[2-(methoxymethyl)phenyl]bismuthane
CID 22382347
1-(2-cyclopropylethynyl)-2-ethylbenzene
CID 130055738
4-(2-ethylphenyl)but-3-yn-1-ol
CID 130165779
CID 123655745
CID 123655745
1-[2-(methoxymethyl)phenyl]propan-2-one
CID 83874886
2-[2-(2-ethylphenyl)ethynyl]oxolane
CID 102141444
1-(benzenesulfonylmethyl)-2-(methoxymethyl)benzene
CID 122679524
3-[2-(3-methoxypropoxymethyl)phenyl]prop-2-yn-1-amine
CID 54970255
1,2-diethylbenzene;hydrobromide
CID 174973685

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-[2-(methoxymethyl)phenyl]ethynyl]benzene?
The IUPAC name of 1-ethyl-2-[2-[2-(methoxymethyl)phenyl]ethynyl]benzene (CID 139455003) is 1-ethyl-2-[2-[2-(methoxymethyl)phenyl]ethynyl]benzene.
What is the SMILES notation for 1-ethyl-2-[2-[2-(methoxymethyl)phenyl]ethynyl]benzene?
The canonical SMILES for 1-ethyl-2-[2-[2-(methoxymethyl)phenyl]ethynyl]benzene is CCc1ccccc1C#Cc1ccccc1COC.
What is the InChIKey of 1-ethyl-2-[2-[2-(methoxymethyl)phenyl]ethynyl]benzene?
The InChIKey is LXKRGXCAZPQCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-3-15-8-4-5-9-16(15)12-13-17-10-6-7-11-18(17)14-19-2/h4-11H,3,14H2,1-2H3.
What are the key properties of 1-ethyl-2-[2-[2-(methoxymethyl)phenyl]ethynyl]benzene?
1-ethyl-2-[2-[2-(methoxymethyl)phenyl]ethynyl]benzene has a molecular weight of 250.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-[2-(methoxymethyl)phenyl]ethynyl]benzene is sourced from PubChem (CID 139455003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).