3-methoxy-1-(4-methylphenyl)pentan-2-ol

C13H20O2 — CID 116710820

IUPAC3-methoxy-1-(4-methylphenyl)pentan-2-ol
SMILESCCC(OC)C(O)Cc1ccc(C)cc1
InChIInChI=1S/C13H20O2/c1-4-13(15-3)12(14)9-11-7-5-10(2)6-8-11/h5-8,12-14H,4,9H2,1-3H3
InChIKeyMSTQYWAHJPRVHW-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.32
Rot. Bonds5

About 3-methoxy-1-(4-methylphenyl)pentan-2-ol

3-methoxy-1-(4-methylphenyl)pentan-2-ol (PubChem CID 116710820) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-methoxy-1-(4-methylphenyl)pentan-2-ol.

Molecular Properties

Compound Name3-methoxy-1-(4-methylphenyl)pentan-2-ol
PubChem CID116710820
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3-methoxy-1-(4-methylphenyl)pentan-2-ol
SMILESCCC(OC)C(O)Cc1ccc(C)cc1
InChIInChI=1S/C13H20O2/c1-4-13(15-3)12(14)9-11-7-5-10(2)6-8-11/h5-8,12-14H,4,9H2,1-3H3
InChIKeyMSTQYWAHJPRVHW-UHFFFAOYSA-N
XLogP2.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-iodophenyl)-3-methoxypentan-2-ol
CID 116710944
3-methoxy-1-pyridin-4-ylpentan-2-ol
CID 116710698
N-ethyl-3-methoxy-1-(4-methylphenyl)pentan-2-amine
CID 116715729
3-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-ol
CID 116710908
1-(2,6-dimethylphenyl)-3-methoxypentan-2-ol
CID 116710695
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol
CID 116712560
ethane;1-ethoxy-2-(4-methylphenyl)ethanol
CID 143660250
1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
1-(2-methoxypropyl)-4-(4-methylphenyl)benzene
CID 145316433

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(4-methylphenyl)pentan-2-ol?
The IUPAC name of 3-methoxy-1-(4-methylphenyl)pentan-2-ol (CID 116710820) is 3-methoxy-1-(4-methylphenyl)pentan-2-ol.
What is the SMILES notation for 3-methoxy-1-(4-methylphenyl)pentan-2-ol?
The canonical SMILES for 3-methoxy-1-(4-methylphenyl)pentan-2-ol is CCC(OC)C(O)Cc1ccc(C)cc1.
What is the InChIKey of 3-methoxy-1-(4-methylphenyl)pentan-2-ol?
The InChIKey is MSTQYWAHJPRVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-13(15-3)12(14)9-11-7-5-10(2)6-8-11/h5-8,12-14H,4,9H2,1-3H3.
What are the key properties of 3-methoxy-1-(4-methylphenyl)pentan-2-ol?
3-methoxy-1-(4-methylphenyl)pentan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(4-methylphenyl)pentan-2-ol is sourced from PubChem (CID 116710820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).