3-[(3-ethyloxetan-2-yl)methyl]phenol

C12H16O2 — CID 139333931

IUPAC3-[(3-ethyloxetan-2-yl)methyl]phenol
SMILESCCC1COC1Cc1cccc(O)c1
InChIInChI=1S/C12H16O2/c1-2-10-8-14-12(10)7-9-4-3-5-11(13)6-9/h3-6,10,12-13H,2,7-8H2,1H3
InChIKeyOWEDPYUJLDRDOM-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.36
Rot. Bonds3

About 3-[(3-ethyloxetan-2-yl)methyl]phenol

3-[(3-ethyloxetan-2-yl)methyl]phenol (PubChem CID 139333931) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-[(3-ethyloxetan-2-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(3-ethyloxetan-2-yl)methyl]phenol
PubChem CID139333931
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name3-[(3-ethyloxetan-2-yl)methyl]phenol
SMILESCCC1COC1Cc1cccc(O)c1
InChIInChI=1S/C12H16O2/c1-2-10-8-14-12(10)7-9-4-3-5-11(13)6-9/h3-6,10,12-13H,2,7-8H2,1H3
InChIKeyOWEDPYUJLDRDOM-UHFFFAOYSA-N
XLogP2.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(3-ethyloxiran-2-yl)propyl]phenol
CID 83930339
(3S,4S)-4-[2-(3-hydroxyphenyl)ethyl]-3-[(3-hydroxyphenyl)methyl]oxolan-2-one
CID 166826069
3-[(5-methylpyrrolidin-2-yl)methyl]phenol
CID 142544066
3-[2-(3-methyloxiran-2-yl)ethyl]phenol
CID 83930331
4-[(3-chlorophenyl)methyl]-3-[(3-hydroxyphenyl)methyl]oxolan-2-one
CID 163684828
4-(aminomethyl)-5-[(3-hydroxyphenyl)methyl]-3-methyl-1,3-oxazolidin-2-one
CID 115062505
2-(oxiran-2-ylmethoxymethyl)oxirane;3-pentadecylphenol
CID 88787409
1-(5-ethyl-2-methylmorpholin-4-yl)-2-(3-hydroxyphenyl)ethanone
CID 61424310
3-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 54962735
3-[2-[(3-hydroxyphenyl)methyl]-1,3-dioxolan-4-yl]propanoic acid
CID 117169531
(3R,4R)-4-[(2,3-dihydroxyphenyl)methyl]-3-[(3-hydroxyphenyl)methyl]oxolan-2-one
CID 131753174
(3R,4R)-3-[(2,5-dihydroxyphenyl)methyl]-4-[(3-hydroxyphenyl)methyl]oxolan-2-one
CID 131753186

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyloxetan-2-yl)methyl]phenol?
The IUPAC name of 3-[(3-ethyloxetan-2-yl)methyl]phenol (CID 139333931) is 3-[(3-ethyloxetan-2-yl)methyl]phenol.
What is the SMILES notation for 3-[(3-ethyloxetan-2-yl)methyl]phenol?
The canonical SMILES for 3-[(3-ethyloxetan-2-yl)methyl]phenol is CCC1COC1Cc1cccc(O)c1.
What is the InChIKey of 3-[(3-ethyloxetan-2-yl)methyl]phenol?
The InChIKey is OWEDPYUJLDRDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-10-8-14-12(10)7-9-4-3-5-11(13)6-9/h3-6,10,12-13H,2,7-8H2,1H3.
What are the key properties of 3-[(3-ethyloxetan-2-yl)methyl]phenol?
3-[(3-ethyloxetan-2-yl)methyl]phenol has a molecular weight of 192.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyloxetan-2-yl)methyl]phenol is sourced from PubChem (CID 139333931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).