1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol

C13H20O2 — CID 79616300

IUPAC1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol
SMILESCOC(C)C(O)Cc1cc(C)ccc1C
InChIInChI=1S/C13H20O2/c1-9-5-6-10(2)12(7-9)8-13(14)11(3)15-4/h5-7,11,13-14H,8H2,1-4H3
InChIKeyYGDHRJBPNUFYFU-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.24
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol

1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol (PubChem CID 79616300) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol
PubChem CID79616300
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol
SMILESCOC(C)C(O)Cc1cc(C)ccc1C
InChIInChI=1S/C13H20O2/c1-9-5-6-10(2)12(7-9)8-13(14)11(3)15-4/h5-7,11,13-14H,8H2,1-4H3
InChIKeyYGDHRJBPNUFYFU-UHFFFAOYSA-N
XLogP2.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(2,5-dimethylphenyl)-1-methoxypropan-2-ol
CID 116712602
3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-ol
CID 79496432
1-(2,5-dimethylphenyl)-3-ethylpentan-2-ol
CID 63016045
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
1-(2,5-dimethylphenyl)-5-methoxypentan-2-ol
CID 65091903
1-(2,5-dimethylphenyl)-3-methylsulfonylpropan-2-ol
CID 62472724
1-(2,5-dimethylphenyl)-6-methylheptan-2-ol
CID 115830018
3-methoxy-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 79616533
1-(2,5-dimethylphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 65135661
1-(2,5-dimethylphenyl)-3-ethoxyhexan-2-ol
CID 116711445
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
4-(2,5-dimethylphenyl)-3-hydroxybutanenitrile
CID 82075422

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol (CID 79616300) is 1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol is COC(C)C(O)Cc1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol?
The InChIKey is YGDHRJBPNUFYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-9-5-6-10(2)12(7-9)8-13(14)11(3)15-4/h5-7,11,13-14H,8H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol?
1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol is sourced from PubChem (CID 79616300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).