4-methoxy-1-(3-methylphenoxy)butan-2-ol

C12H18O3 — CID 117236744

IUPAC4-methoxy-1-(3-methylphenoxy)butan-2-ol
SMILESCOCCC(O)COc1cccc(C)c1
InChIInChI=1S/C12H18O3/c1-10-4-3-5-12(8-10)15-9-11(13)6-7-14-2/h3-5,8,11,13H,6-7,9H2,1-2H3
InChIKeyQCWSMTJLSVVRON-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.77
Rot. Bonds6

About 4-methoxy-1-(3-methylphenoxy)butan-2-ol

4-methoxy-1-(3-methylphenoxy)butan-2-ol (PubChem CID 117236744) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 4-methoxy-1-(3-methylphenoxy)butan-2-ol.

Molecular Properties

Compound Name4-methoxy-1-(3-methylphenoxy)butan-2-ol
PubChem CID117236744
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name4-methoxy-1-(3-methylphenoxy)butan-2-ol
SMILESCOCCC(O)COc1cccc(C)c1
InChIInChI=1S/C12H18O3/c1-10-4-3-5-12(8-10)15-9-11(13)6-7-14-2/h3-5,8,11,13H,6-7,9H2,1-2H3
InChIKeyQCWSMTJLSVVRON-UHFFFAOYSA-N
XLogP1.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-1-(3-methylphenoxy)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenoxy)-4-methoxybutan-2-ol
CID 117236754
1-(3-methylphenoxy)butan-2-ol
CID 13089920
(2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol
CID 161303338
6-methyl-1-(3-methylphenoxy)heptan-3-ol
CID 105085561
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 115609480
6-methyl-1-(3-methylphenoxy)hept-6-en-3-ol
CID 105127429
1-(3-methylphenoxy)hex-5-en-3-ol
CID 105081716
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
1-(4-bromophenoxy)-4-methoxybutan-2-ol
CID 117236778
3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butan-1-ol
CID 83176233
1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105165685

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(3-methylphenoxy)butan-2-ol?
The IUPAC name of 4-methoxy-1-(3-methylphenoxy)butan-2-ol (CID 117236744) is 4-methoxy-1-(3-methylphenoxy)butan-2-ol.
What is the SMILES notation for 4-methoxy-1-(3-methylphenoxy)butan-2-ol?
The canonical SMILES for 4-methoxy-1-(3-methylphenoxy)butan-2-ol is COCCC(O)COc1cccc(C)c1.
What is the InChIKey of 4-methoxy-1-(3-methylphenoxy)butan-2-ol?
The InChIKey is QCWSMTJLSVVRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-10-4-3-5-12(8-10)15-9-11(13)6-7-14-2/h3-5,8,11,13H,6-7,9H2,1-2H3.
What are the key properties of 4-methoxy-1-(3-methylphenoxy)butan-2-ol?
4-methoxy-1-(3-methylphenoxy)butan-2-ol has a molecular weight of 210.27 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(3-methylphenoxy)butan-2-ol is sourced from PubChem (CID 117236744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).