1-(cyclobuten-1-yl)-3-methoxy-2-[(2-methylphenyl)methoxy]benzene

C19H20O2 — CID 11680726

IUPAC1-(cyclobuten-1-yl)-3-methoxy-2-[(2-methylphenyl)methoxy]benzene
SMILESCOc1cccc(C2=CCC2)c1OCc1ccccc1C
InChIInChI=1S/C19H20O2/c1-14-7-3-4-8-16(14)13-21-19-17(15-9-5-10-15)11-6-12-18(19)20-2/h3-4,6-9,11-12H,5,10,13H2,1-2H3
InChIKeyNFNGKAHORNASLC-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.76
Rot. Bonds5

About 1-(cyclobuten-1-yl)-3-methoxy-2-[(2-methylphenyl)methoxy]benzene

1-(cyclobuten-1-yl)-3-methoxy-2-[(2-methylphenyl)methoxy]benzene (PubChem CID 11680726) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(cyclobuten-1-yl)-3-methoxy-2-[(2-methylphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-(cyclobuten-1-yl)-3-methoxy-2-[(2-methylphenyl)methoxy]benzene
PubChem CID11680726
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name1-(cyclobuten-1-yl)-3-methoxy-2-[(2-methylphenyl)methoxy]benzene
SMILESCOc1cccc(C2=CCC2)c1OCc1ccccc1C
InChIInChI=1S/C19H20O2/c1-14-7-3-4-8-16(14)13-21-19-17(15-9-5-10-15)11-6-12-18(19)20-2/h3-4,6-9,11-12H,5,10,13H2,1-2H3
InChIKeyNFNGKAHORNASLC-UHFFFAOYSA-N
XLogP4.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methoxyphenyl)methoxy]-1,3-dimethylbenzene
CID 70895147
(2S)-N-[[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 51988522
4-ethyl-2-[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-1,3-thiazole-5-carboxylic acid
CID 22685652
1-[2-[(2-methoxyphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952135
1-methoxy-3-phenyl-2-phenylmethoxybenzene
CID 11994921
1-fluoro-2-[(2-methylphenyl)methoxy]benzene
CID 60627765
2-[2-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 61482172
4-[(2,6-dimethoxyphenoxy)methyl]-3-methylbenzonitrile
CID 114481454
[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylidene-(phenylcarbamothioylamino)azanium
CID 3679852
5-[(2,3-dimethoxyphenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
CID 156892023
2-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82240364
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 2987070

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobuten-1-yl)-3-methoxy-2-[(2-methylphenyl)methoxy]benzene?
The IUPAC name of 1-(cyclobuten-1-yl)-3-methoxy-2-[(2-methylphenyl)methoxy]benzene (CID 11680726) is 1-(cyclobuten-1-yl)-3-methoxy-2-[(2-methylphenyl)methoxy]benzene.
What is the SMILES notation for 1-(cyclobuten-1-yl)-3-methoxy-2-[(2-methylphenyl)methoxy]benzene?
The canonical SMILES for 1-(cyclobuten-1-yl)-3-methoxy-2-[(2-methylphenyl)methoxy]benzene is COc1cccc(C2=CCC2)c1OCc1ccccc1C.
What is the InChIKey of 1-(cyclobuten-1-yl)-3-methoxy-2-[(2-methylphenyl)methoxy]benzene?
The InChIKey is NFNGKAHORNASLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-14-7-3-4-8-16(14)13-21-19-17(15-9-5-10-15)11-6-12-18(19)20-2/h3-4,6-9,11-12H,5,10,13H2,1-2H3.
What are the key properties of 1-(cyclobuten-1-yl)-3-methoxy-2-[(2-methylphenyl)methoxy]benzene?
1-(cyclobuten-1-yl)-3-methoxy-2-[(2-methylphenyl)methoxy]benzene has a molecular weight of 280.37 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobuten-1-yl)-3-methoxy-2-[(2-methylphenyl)methoxy]benzene is sourced from PubChem (CID 11680726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).