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

C11H16O2 — CID 13089920

IUPAC1-(3-methylphenoxy)butan-2-ol
SMILESCCC(O)COc1cccc(C)c1
InChIInChI=1S/C11H16O2/c1-3-10(12)8-13-11-6-4-5-9(2)7-11/h4-7,10,12H,3,8H2,1-2H3
InChIKeyVOVTZLSOGNEITD-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.14
Rot. Bonds4

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

1-(3-methylphenoxy)butan-2-ol (PubChem CID 13089920) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(3-methylphenoxy)butan-2-ol.

Molecular Properties

Compound Name1-(3-methylphenoxy)butan-2-ol
PubChem CID13089920
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-(3-methylphenoxy)butan-2-ol
SMILESCCC(O)COc1cccc(C)c1
InChIInChI=1S/C11H16O2/c1-3-10(12)8-13-11-6-4-5-9(2)7-11/h4-7,10,12H,3,8H2,1-2H3
InChIKeyVOVTZLSOGNEITD-UHFFFAOYSA-N
XLogP2.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 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

4-methoxy-1-(3-methylphenoxy)butan-2-ol
CID 117236744
3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol
CID 106285812
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
(2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol
CID 161303338
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
N-methyl-1-(3-methylphenoxy)butan-2-amine
CID 62038283
1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol
CID 79759481
1-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 115609672
1-(2-chloro-4-methylanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60900392
1-(furan-2-yl)-3-(3-methylphenoxy)propan-2-ol
CID 117246130
2,2-difluoro-3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propan-1-ol
CID 106176703
1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 60970383

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenoxy)butan-2-ol?
The IUPAC name of 1-(3-methylphenoxy)butan-2-ol (CID 13089920) is 1-(3-methylphenoxy)butan-2-ol.
What is the SMILES notation for 1-(3-methylphenoxy)butan-2-ol?
The canonical SMILES for 1-(3-methylphenoxy)butan-2-ol is CCC(O)COc1cccc(C)c1.
What is the InChIKey of 1-(3-methylphenoxy)butan-2-ol?
The InChIKey is VOVTZLSOGNEITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-10(12)8-13-11-6-4-5-9(2)7-11/h4-7,10,12H,3,8H2,1-2H3.
What are the key properties of 1-(3-methylphenoxy)butan-2-ol?
1-(3-methylphenoxy)butan-2-ol has a molecular weight of 180.25 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenoxy)butan-2-ol is sourced from PubChem (CID 13089920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).