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

C18H18O3 — CID 148766498

IUPAC1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)prop-2-ynyl]benzene
SMILESC#CC(OC)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H18O3/c1-5-18(21-4,14-6-10-16(19-2)11-7-14)15-8-12-17(20-3)13-9-15/h1,6-13H,2-4H3
InChIKeyOHOPXUBOCCVDIC-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.23
Rot. Bonds5

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

1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)prop-2-ynyl]benzene (PubChem CID 148766498) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)prop-2-ynyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)prop-2-ynyl]benzene
PubChem CID148766498
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)prop-2-ynyl]benzene
SMILESC#CC(OC)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H18O3/c1-5-18(21-4,14-6-10-16(19-2)11-7-14)15-8-12-17(20-3)13-9-15/h1,6-13H,2-4H3
InChIKeyOHOPXUBOCCVDIC-UHFFFAOYSA-N
XLogP3.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.23
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-[4-[4-[1-hydroxy-1-(4-methoxyphenyl)prop-2-ynyl]phenyl]phenyl]-1-(4-methoxyphenyl)prop-2-yn-1-ol
CID 169006869
1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene
CID 86224004
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 100982680
3-ethynyl-3-(4-methoxyphenyl)pent-4-yn-1-ol
CID 135072076
1-methoxy-4-(2-methylbut-3-yn-2-yloxy)benzene
CID 11830222
1-methoxy-4-prop-2-ynylbenzene
CID 10773115
CID 102373172
CID 102373172
1-methoxy-4-[2,2,2-trichloro-1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 91491822
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
CID 19875161
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757
1-(furan-2-yl)-1-(4-methoxyphenyl)prop-2-yn-1-ol
CID 59942989
1-(3,5-difluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-yn-1-ol
CID 54059854

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)prop-2-ynyl]benzene?
The IUPAC name of 1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)prop-2-ynyl]benzene (CID 148766498) is 1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)prop-2-ynyl]benzene.
What is the SMILES notation for 1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)prop-2-ynyl]benzene?
The canonical SMILES for 1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)prop-2-ynyl]benzene is C#CC(OC)(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)prop-2-ynyl]benzene?
The InChIKey is OHOPXUBOCCVDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-5-18(21-4,14-6-10-16(19-2)11-7-14)15-8-12-17(20-3)13-9-15/h1,6-13H,2-4H3.
What are the key properties of 1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)prop-2-ynyl]benzene?
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)prop-2-ynyl]benzene has a molecular weight of 282.34 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)prop-2-ynyl]benzene is sourced from PubChem (CID 148766498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).