1-[3-(1-ethoxyethoxy)prop-1-ynyl]-4-[(2-methylpropan-2-yl)oxy]benzene

C17H24O3 — CID 146002740

IUPAC1-[3-(1-ethoxyethoxy)prop-1-ynyl]-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESCCOC(C)OCC#Cc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C17H24O3/c1-6-18-14(2)19-13-7-8-15-9-11-16(12-10-15)20-17(3,4)5/h9-12,14H,6,13H2,1-5H3
InChIKeySXCKAYOZMMJRRC-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.61
Rot. Bonds5

About 1-[3-(1-ethoxyethoxy)prop-1-ynyl]-4-[(2-methylpropan-2-yl)oxy]benzene

1-[3-(1-ethoxyethoxy)prop-1-ynyl]-4-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 146002740) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[3-(1-ethoxyethoxy)prop-1-ynyl]-4-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1-[3-(1-ethoxyethoxy)prop-1-ynyl]-4-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID146002740
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name1-[3-(1-ethoxyethoxy)prop-1-ynyl]-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESCCOC(C)OCC#Cc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C17H24O3/c1-6-18-14(2)19-13-7-8-15-9-11-16(12-10-15)20-17(3,4)5/h9-12,14H,6,13H2,1-5H3
InChIKeySXCKAYOZMMJRRC-UHFFFAOYSA-N
XLogP3.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[3-(1-ethoxyethoxy)prop-1-ynyl]-4-[(2-methylpropan-2-yl)oxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-yne-1-thiol
CID 169487118
1-[3-(1-ethoxyethoxy)prop-1-ynyl]-3,5-difluorobenzene
CID 146003109
4-[4-[(2-methylpropan-2-yl)oxy]phenyl]but-3-ynenitrile
CID 170475377
1-[(2-methylpropan-2-yl)oxy]-4-non-1-ynylbenzene
CID 146002768
4-[4-[(2-methylpropan-2-yl)oxy]phenyl]but-3-yn-2-ol
CID 146002748
ethyl 3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-ynoate
CID 146002754
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]oct-1-yn-3-ol
CID 146002747
ethene;1-ethoxy-4-[(2-methylpropan-2-yl)oxy]benzene
CID 174706040
1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
4-ethyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]oct-1-yn-3-ol
CID 146002741
1-(2-methylbutan-2-yloxy)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167138182
1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
CID 22726285

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethoxyethoxy)prop-1-ynyl]-4-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1-[3-(1-ethoxyethoxy)prop-1-ynyl]-4-[(2-methylpropan-2-yl)oxy]benzene (CID 146002740) is 1-[3-(1-ethoxyethoxy)prop-1-ynyl]-4-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1-[3-(1-ethoxyethoxy)prop-1-ynyl]-4-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1-[3-(1-ethoxyethoxy)prop-1-ynyl]-4-[(2-methylpropan-2-yl)oxy]benzene is CCOC(C)OCC#Cc1ccc(OC(C)(C)C)cc1.
What is the InChIKey of 1-[3-(1-ethoxyethoxy)prop-1-ynyl]-4-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is SXCKAYOZMMJRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-6-18-14(2)19-13-7-8-15-9-11-16(12-10-15)20-17(3,4)5/h9-12,14H,6,13H2,1-5H3.
What are the key properties of 1-[3-(1-ethoxyethoxy)prop-1-ynyl]-4-[(2-methylpropan-2-yl)oxy]benzene?
1-[3-(1-ethoxyethoxy)prop-1-ynyl]-4-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 276.38 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethoxyethoxy)prop-1-ynyl]-4-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 146002740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).