4-(2-methylphenyl)-1-propoxybutan-2-ol

C14H22O2 — CID 105111883

IUPAC4-(2-methylphenyl)-1-propoxybutan-2-ol
SMILESCCCOCC(O)CCc1ccccc1C
InChIInChI=1S/C14H22O2/c1-3-10-16-11-14(15)9-8-13-7-5-4-6-12(13)2/h4-7,14-15H,3,8-11H2,1-2H3
InChIKeyJYRYJEGECODEGX-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.72
Rot. Bonds7

About 4-(2-methylphenyl)-1-propoxybutan-2-ol

4-(2-methylphenyl)-1-propoxybutan-2-ol (PubChem CID 105111883) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-(2-methylphenyl)-1-propoxybutan-2-ol.

Molecular Properties

Compound Name4-(2-methylphenyl)-1-propoxybutan-2-ol
PubChem CID105111883
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name4-(2-methylphenyl)-1-propoxybutan-2-ol
SMILESCCCOCC(O)CCc1ccccc1C
InChIInChI=1S/C14H22O2/c1-3-10-16-11-14(15)9-8-13-7-5-4-6-12(13)2/h4-7,14-15H,3,8-11H2,1-2H3
InChIKeyJYRYJEGECODEGX-UHFFFAOYSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylphenyl)-1-propoxy-N-propylbutan-2-amine
CID 105165477
1-(2-methylphenyl)decan-3-ol
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1-propoxy-4-pyridin-2-ylbutan-2-ol
CID 105112007
1-(4-ethylphenyl)-4-(2-methylphenyl)butan-2-ol
CID 105080198
4-methyl-1-(2-methylphenyl)heptan-3-ol
CID 107894629
1-(2-methoxyethoxy)-3-[2-(2-methylphenyl)ethylamino]propan-2-ol
CID 106990151
ethane;1-methyl-2-(propoxymethyl)benzene
CID 144908346
6-(2-methylphenyl)hexan-3-ol
CID 64514172
1-(2-methylphenyl)-2-(2-propoxyethoxy)ethanol
CID 55233858
1-(3,5-dimethylphenyl)-4-(2-methylphenyl)butan-2-ol
CID 105079612
4-(2-methylphenyl)-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 105084187
1-(3-phenylpropoxy)pentan-2-ol
CID 62042803

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-1-propoxybutan-2-ol?
The IUPAC name of 4-(2-methylphenyl)-1-propoxybutan-2-ol (CID 105111883) is 4-(2-methylphenyl)-1-propoxybutan-2-ol.
What is the SMILES notation for 4-(2-methylphenyl)-1-propoxybutan-2-ol?
The canonical SMILES for 4-(2-methylphenyl)-1-propoxybutan-2-ol is CCCOCC(O)CCc1ccccc1C.
What is the InChIKey of 4-(2-methylphenyl)-1-propoxybutan-2-ol?
The InChIKey is JYRYJEGECODEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-10-16-11-14(15)9-8-13-7-5-4-6-12(13)2/h4-7,14-15H,3,8-11H2,1-2H3.
What are the key properties of 4-(2-methylphenyl)-1-propoxybutan-2-ol?
4-(2-methylphenyl)-1-propoxybutan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-1-propoxybutan-2-ol is sourced from PubChem (CID 105111883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).