[3-(3-phenylmethoxyphenyl)cyclobut-2-en-1-yl]methanol

C18H18O2 — CID 102520214

IUPAC[3-(3-phenylmethoxyphenyl)cyclobut-2-en-1-yl]methanol
SMILESOCC1C=C(c2cccc(OCc3ccccc3)c2)C1
InChIInChI=1S/C18H18O2/c19-12-15-9-17(10-15)16-7-4-8-18(11-16)20-13-14-5-2-1-3-6-14/h1-9,11,15,19H,10,12-13H2
InChIKeyTUEMALLMTRAIKB-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.66
Rot. Bonds5

About [3-(3-phenylmethoxyphenyl)cyclobut-2-en-1-yl]methanol

[3-(3-phenylmethoxyphenyl)cyclobut-2-en-1-yl]methanol (PubChem CID 102520214) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [3-(3-phenylmethoxyphenyl)cyclobut-2-en-1-yl]methanol.

Molecular Properties

Compound Name[3-(3-phenylmethoxyphenyl)cyclobut-2-en-1-yl]methanol
PubChem CID102520214
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name[3-(3-phenylmethoxyphenyl)cyclobut-2-en-1-yl]methanol
SMILESOCC1C=C(c2cccc(OCc3ccccc3)c2)C1
InChIInChI=1S/C18H18O2/c19-12-15-9-17(10-15)16-7-4-8-18(11-16)20-13-14-5-2-1-3-6-14/h1-9,11,15,19H,10,12-13H2
InChIKeyTUEMALLMTRAIKB-UHFFFAOYSA-N
XLogP3.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene
CID 171973332
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[2-(3-phenylmethoxyphenyl)pyrimidin-5-yl]methanol
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2-phenyl-5-phenylmethoxyphenol
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[3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol
CID 122435033
2-(aminomethyl)-3-(3-phenylmethoxyphenyl)propan-1-ol
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2-methyl-5-(3-phenylmethoxyphenyl)phenol
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3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid
CID 58239597
2-[5-phenyl-2-(3-phenylmethoxyphenyl)phenyl]ethanol
CID 122540105
phenoxymethylbenzene;2-phenylphenol
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(2S)-2-cyclopropyl-2-(3-phenylmethoxyphenyl)ethanol
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1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490

Frequently Asked Questions

What is the IUPAC name of [3-(3-phenylmethoxyphenyl)cyclobut-2-en-1-yl]methanol?
The IUPAC name of [3-(3-phenylmethoxyphenyl)cyclobut-2-en-1-yl]methanol (CID 102520214) is [3-(3-phenylmethoxyphenyl)cyclobut-2-en-1-yl]methanol.
What is the SMILES notation for [3-(3-phenylmethoxyphenyl)cyclobut-2-en-1-yl]methanol?
The canonical SMILES for [3-(3-phenylmethoxyphenyl)cyclobut-2-en-1-yl]methanol is OCC1C=C(c2cccc(OCc3ccccc3)c2)C1.
What is the InChIKey of [3-(3-phenylmethoxyphenyl)cyclobut-2-en-1-yl]methanol?
The InChIKey is TUEMALLMTRAIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-12-15-9-17(10-15)16-7-4-8-18(11-16)20-13-14-5-2-1-3-6-14/h1-9,11,15,19H,10,12-13H2.
What are the key properties of [3-(3-phenylmethoxyphenyl)cyclobut-2-en-1-yl]methanol?
[3-(3-phenylmethoxyphenyl)cyclobut-2-en-1-yl]methanol has a molecular weight of 266.34 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-phenylmethoxyphenyl)cyclobut-2-en-1-yl]methanol is sourced from PubChem (CID 102520214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).