1-methoxy-3-[3-(4-methoxyphenyl)prop-2-ynoxy]benzene

C17H16O3 — CID 165353497

IUPAC1-methoxy-3-[3-(4-methoxyphenyl)prop-2-ynoxy]benzene
SMILESCOc1ccc(C#CCOc2cccc(OC)c2)cc1
InChIInChI=1S/C17H16O3/c1-18-15-10-8-14(9-11-15)5-4-12-20-17-7-3-6-16(13-17)19-2/h3,6-11,13H,12H2,1-2H3
InChIKeyCKODXURZEVDAPM-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.13
Rot. Bonds4

About 1-methoxy-3-[3-(4-methoxyphenyl)prop-2-ynoxy]benzene

1-methoxy-3-[3-(4-methoxyphenyl)prop-2-ynoxy]benzene (PubChem CID 165353497) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-methoxy-3-[3-(4-methoxyphenyl)prop-2-ynoxy]benzene.

Molecular Properties

Compound Name1-methoxy-3-[3-(4-methoxyphenyl)prop-2-ynoxy]benzene
PubChem CID165353497
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name1-methoxy-3-[3-(4-methoxyphenyl)prop-2-ynoxy]benzene
SMILESCOc1ccc(C#CCOc2cccc(OC)c2)cc1
InChIInChI=1S/C17H16O3/c1-18-15-10-8-14(9-11-15)5-4-12-20-17-7-3-6-16(13-17)19-2/h3,6-11,13H,12H2,1-2H3
InChIKeyCKODXURZEVDAPM-UHFFFAOYSA-N
XLogP3.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-but-2-ynoxy-3-methoxybenzene
CID 12759697
1-[3-(4-methoxyphenyl)prop-2-ynoxy]naphthalene
CID 135016241
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
2-(3-methoxyphenoxy)acetonitrile
CID 11041031
azane;1,3-dimethoxybenzene
CID 70210283
1,3-bis[2-(4-methoxyphenyl)ethynyl]benzene
CID 170459723
3-(3-phenylprop-2-ynoxy)benzonitrile
CID 62341053
1-chloro-3-(3-phenylprop-2-ynoxy)benzene
CID 64763813
2-bromo-4-fluoro-1-[3-(4-methoxyphenyl)prop-2-ynoxy]benzene
CID 71697679
1-(3-chloroprop-1-ynyl)-4-methoxybenzene
CID 60801100
1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethynyl]benzene
CID 11673405
1-(3-phenoxyprop-1-ynyl)-4-propan-2-ylbenzene
CID 58591685

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[3-(4-methoxyphenyl)prop-2-ynoxy]benzene?
The IUPAC name of 1-methoxy-3-[3-(4-methoxyphenyl)prop-2-ynoxy]benzene (CID 165353497) is 1-methoxy-3-[3-(4-methoxyphenyl)prop-2-ynoxy]benzene.
What is the SMILES notation for 1-methoxy-3-[3-(4-methoxyphenyl)prop-2-ynoxy]benzene?
The canonical SMILES for 1-methoxy-3-[3-(4-methoxyphenyl)prop-2-ynoxy]benzene is COc1ccc(C#CCOc2cccc(OC)c2)cc1.
What is the InChIKey of 1-methoxy-3-[3-(4-methoxyphenyl)prop-2-ynoxy]benzene?
The InChIKey is CKODXURZEVDAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-18-15-10-8-14(9-11-15)5-4-12-20-17-7-3-6-16(13-17)19-2/h3,6-11,13H,12H2,1-2H3.
What are the key properties of 1-methoxy-3-[3-(4-methoxyphenyl)prop-2-ynoxy]benzene?
1-methoxy-3-[3-(4-methoxyphenyl)prop-2-ynoxy]benzene has a molecular weight of 268.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[3-(4-methoxyphenyl)prop-2-ynoxy]benzene is sourced from PubChem (CID 165353497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).