1-(ethoxymethyl)-4-ethynylbenzene

C11H12O — CID 86643750

IUPAC1-(ethoxymethyl)-4-ethynylbenzene
SMILESC#Cc1ccc(COCC)cc1
InChIInChI=1S/C11H12O/c1-3-10-5-7-11(8-6-10)9-12-4-2/h1,5-8H,4,9H2,2H3
InChIKeyHNGFEDPQVQTWLD-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.20
Rot. Bonds3

About 1-(ethoxymethyl)-4-ethynylbenzene

1-(ethoxymethyl)-4-ethynylbenzene (PubChem CID 86643750) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-(ethoxymethyl)-4-ethynylbenzene.

Molecular Properties

Compound Name1-(ethoxymethyl)-4-ethynylbenzene
PubChem CID86643750
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name1-(ethoxymethyl)-4-ethynylbenzene
SMILESC#Cc1ccc(COCC)cc1
InChIInChI=1S/C11H12O/c1-3-10-5-7-11(8-6-10)9-12-4-2/h1,5-8H,4,9H2,2H3
InChIKeyHNGFEDPQVQTWLD-UHFFFAOYSA-N
XLogP2.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.20
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-ethynyl-4-(methoxymethoxymethyl)benzene
CID 14481693
(4-ethynylphenyl)methoxy-dimethylsilane
CID 174611884
1-(ethoxymethyl)-4-methylbenzene
CID 12727419
[4-(ethoxymethyl)phenyl]methoxymethanol
CID 144565304
(213C)ethoxymethylbenzene
CID 87947851
CID 169190312
CID 169190312
1-(3-ethoxyprop-1-ynyl)-4-(4-ethynylphenyl)benzene
CID 89056662
(4-ethynylphenyl)methyl carbamate
CID 126697141
[4-(ethoxymethyl)phenyl]-(4-prop-2-ynoxyphenyl)methanone
CID 139459884
1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene
CID 123874930
1-butyl-4-ethynylbenzene;ethane
CID 144704471
[4-[4-(ethoxymethyl)phenyl]phenyl]methanol
CID 123162407

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-4-ethynylbenzene?
The IUPAC name of 1-(ethoxymethyl)-4-ethynylbenzene (CID 86643750) is 1-(ethoxymethyl)-4-ethynylbenzene.
What is the SMILES notation for 1-(ethoxymethyl)-4-ethynylbenzene?
The canonical SMILES for 1-(ethoxymethyl)-4-ethynylbenzene is C#Cc1ccc(COCC)cc1.
What is the InChIKey of 1-(ethoxymethyl)-4-ethynylbenzene?
The InChIKey is HNGFEDPQVQTWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-3-10-5-7-11(8-6-10)9-12-4-2/h1,5-8H,4,9H2,2H3.
What are the key properties of 1-(ethoxymethyl)-4-ethynylbenzene?
1-(ethoxymethyl)-4-ethynylbenzene has a molecular weight of 160.22 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-4-ethynylbenzene is sourced from PubChem (CID 86643750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).