1-(cyclobuten-1-yl)-3-phenylmethoxybenzene

C17H16O — CID 102186387

IUPAC1-(cyclobuten-1-yl)-3-phenylmethoxybenzene
SMILESC1=C(c2cccc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C17H16O/c1-2-6-14(7-3-1)13-18-17-11-5-10-16(12-17)15-8-4-9-15/h1-3,5-8,10-12H,4,9,13H2
InChIKeyIOCFTVQKAUZWGI-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.44
Rot. Bonds4

About 1-(cyclobuten-1-yl)-3-phenylmethoxybenzene

1-(cyclobuten-1-yl)-3-phenylmethoxybenzene (PubChem CID 102186387) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(cyclobuten-1-yl)-3-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(cyclobuten-1-yl)-3-phenylmethoxybenzene
PubChem CID102186387
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name1-(cyclobuten-1-yl)-3-phenylmethoxybenzene
SMILESC1=C(c2cccc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C17H16O/c1-2-6-14(7-3-1)13-18-17-11-5-10-16(12-17)15-8-4-9-15/h1-3,5-8,10-12H,4,9,13H2
InChIKeyIOCFTVQKAUZWGI-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(3-phenylmethoxyphenyl)cyclobut-2-en-1-yl]methanol
CID 102520214
3-(3-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene
CID 171973332
1-(2-bromoethoxy)-3-phenylmethoxybenzene
CID 23294563
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
CID 57452903
CID 57452903
2-methyl-5-(3-phenylmethoxyphenyl)phenol
CID 53219180
[2-(3-phenylmethoxyphenyl)pyrimidin-5-yl]methanol
CID 172877663
3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid
CID 58239597
2-(3-phenylmethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinoline
CID 3042687
CID 57238609
CID 57238609
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobuten-1-yl)-3-phenylmethoxybenzene?
The IUPAC name of 1-(cyclobuten-1-yl)-3-phenylmethoxybenzene (CID 102186387) is 1-(cyclobuten-1-yl)-3-phenylmethoxybenzene.
What is the SMILES notation for 1-(cyclobuten-1-yl)-3-phenylmethoxybenzene?
The canonical SMILES for 1-(cyclobuten-1-yl)-3-phenylmethoxybenzene is C1=C(c2cccc(OCc3ccccc3)c2)CC1.
What is the InChIKey of 1-(cyclobuten-1-yl)-3-phenylmethoxybenzene?
The InChIKey is IOCFTVQKAUZWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-2-6-14(7-3-1)13-18-17-11-5-10-16(12-17)15-8-4-9-15/h1-3,5-8,10-12H,4,9,13H2.
What are the key properties of 1-(cyclobuten-1-yl)-3-phenylmethoxybenzene?
1-(cyclobuten-1-yl)-3-phenylmethoxybenzene has a molecular weight of 236.31 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobuten-1-yl)-3-phenylmethoxybenzene is sourced from PubChem (CID 102186387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).