1-ethoxy-4-prop-2-ynoxybenzene

C11H12O2 — CID 20701293

IUPAC1-ethoxy-4-prop-2-ynoxybenzene
SMILESC#CCOc1ccc(OCC)cc1
InChIInChI=1S/C11H12O2/c1-3-9-13-11-7-5-10(6-8-11)12-4-2/h1,5-8H,4,9H2,2H3
InChIKeySZVUVVKBRBOFTB-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.10
Rot. Bonds4

About 1-ethoxy-4-prop-2-ynoxybenzene

1-ethoxy-4-prop-2-ynoxybenzene (PubChem CID 20701293) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-ethoxy-4-prop-2-ynoxybenzene.

Molecular Properties

Compound Name1-ethoxy-4-prop-2-ynoxybenzene
PubChem CID20701293
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name1-ethoxy-4-prop-2-ynoxybenzene
SMILESC#CCOc1ccc(OCC)cc1
InChIInChI=1S/C11H12O2/c1-3-9-13-11-7-5-10(6-8-11)12-4-2/h1,5-8H,4,9H2,2H3
InChIKeySZVUVVKBRBOFTB-UHFFFAOYSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.10
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-[ethoxy-bis(4-prop-2-ynoxyphenyl)methyl]-4-prop-2-ynoxybenzene
CID 15933577
ethane;prop-2-ynoxybenzene
CID 144946264
4-prop-2-ynoxybenzenethiol
CID 155088552
1-prop-2-ynoxy-4-[2-(4-prop-2-ynoxyphenyl)propan-2-yl]benzene
CID 14716637
1-(4-prop-2-ynoxyphenyl)propan-1-one
CID 15328999
2,6-bis(prop-2-ynoxy)naphthalene
CID 12710422
(1R)-1-(4-prop-2-ynoxyphenyl)ethanamine
CID 63367592
N-methyl-1-(4-prop-2-ynoxyphenyl)methanamine
CID 60809338
1-ethoxy-4-[1-(4-ethoxyphenyl)prop-2-ynyl]benzene
CID 130239212
(4-prop-2-ynoxyphenyl)boronic acid
CID 119086652
bis(4-prop-2-ynoxyphenyl)methanol
CID 102483655
N-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-amine
CID 115495069

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-prop-2-ynoxybenzene?
The IUPAC name of 1-ethoxy-4-prop-2-ynoxybenzene (CID 20701293) is 1-ethoxy-4-prop-2-ynoxybenzene.
What is the SMILES notation for 1-ethoxy-4-prop-2-ynoxybenzene?
The canonical SMILES for 1-ethoxy-4-prop-2-ynoxybenzene is C#CCOc1ccc(OCC)cc1.
What is the InChIKey of 1-ethoxy-4-prop-2-ynoxybenzene?
The InChIKey is SZVUVVKBRBOFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-3-9-13-11-7-5-10(6-8-11)12-4-2/h1,5-8H,4,9H2,2H3.
What are the key properties of 1-ethoxy-4-prop-2-ynoxybenzene?
1-ethoxy-4-prop-2-ynoxybenzene has a molecular weight of 176.21 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-prop-2-ynoxybenzene is sourced from PubChem (CID 20701293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).