4-methoxy-1-(2-methoxyphenoxy)butan-2-ol

C12H18O4 — CID 117236738

IUPAC4-methoxy-1-(2-methoxyphenoxy)butan-2-ol
SMILESCOCCC(O)COc1ccccc1OC
InChIInChI=1S/C12H18O4/c1-14-8-7-10(13)9-16-12-6-4-3-5-11(12)15-2/h3-6,10,13H,7-9H2,1-2H3
InChIKeyJZKBQBGVCHRIQV-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.47
Rot. Bonds7

About 4-methoxy-1-(2-methoxyphenoxy)butan-2-ol

4-methoxy-1-(2-methoxyphenoxy)butan-2-ol (PubChem CID 117236738) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 4-methoxy-1-(2-methoxyphenoxy)butan-2-ol.

Molecular Properties

Compound Name4-methoxy-1-(2-methoxyphenoxy)butan-2-ol
PubChem CID117236738
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name4-methoxy-1-(2-methoxyphenoxy)butan-2-ol
SMILESCOCCC(O)COc1ccccc1OC
InChIInChI=1S/C12H18O4/c1-14-8-7-10(13)9-16-12-6-4-3-5-11(12)15-2/h3-6,10,13H,7-9H2,1-2H3
InChIKeyJZKBQBGVCHRIQV-UHFFFAOYSA-N
XLogP1.47
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenoxy)-4-methoxybutan-2-ol
CID 117236731
4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol
CID 106246755
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
1-(2-methoxyphenoxy)pentan-3-ol
CID 112501425
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
1-cyclopentyl-3-(2-methoxyphenoxy)propan-2-ol
CID 103160603
1-(2-methoxyphenoxy)but-3-en-2-ol
CID 86137299
4-methoxy-1-(3-methylphenoxy)butan-2-ol
CID 117236744
1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 65038779
[2-hydroxy-3-(2-methoxyphenoxy)propyl]-methylcarbamic acid
CID 54242139
1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616905
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 40840939

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-methoxyphenoxy)butan-2-ol?
The IUPAC name of 4-methoxy-1-(2-methoxyphenoxy)butan-2-ol (CID 117236738) is 4-methoxy-1-(2-methoxyphenoxy)butan-2-ol.
What is the SMILES notation for 4-methoxy-1-(2-methoxyphenoxy)butan-2-ol?
The canonical SMILES for 4-methoxy-1-(2-methoxyphenoxy)butan-2-ol is COCCC(O)COc1ccccc1OC.
What is the InChIKey of 4-methoxy-1-(2-methoxyphenoxy)butan-2-ol?
The InChIKey is JZKBQBGVCHRIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-14-8-7-10(13)9-16-12-6-4-3-5-11(12)15-2/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of 4-methoxy-1-(2-methoxyphenoxy)butan-2-ol?
4-methoxy-1-(2-methoxyphenoxy)butan-2-ol has a molecular weight of 226.27 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2-methoxyphenoxy)butan-2-ol is sourced from PubChem (CID 117236738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).