2-(3-methylphenyl)-4-propoxybutan-1-ol

C14H22O2 — CID 106459483

IUPAC2-(3-methylphenyl)-4-propoxybutan-1-ol
SMILESCCCOCCC(CO)c1cccc(C)c1
InChIInChI=1S/C14H22O2/c1-3-8-16-9-7-14(11-15)13-6-4-5-12(2)10-13/h4-6,10,14-15H,3,7-9,11H2,1-2H3
InChIKeyRMEVKYGQNQCGHT-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.89
Rot. Bonds7

About 2-(3-methylphenyl)-4-propoxybutan-1-ol

2-(3-methylphenyl)-4-propoxybutan-1-ol (PubChem CID 106459483) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(3-methylphenyl)-4-propoxybutan-1-ol.

Molecular Properties

Compound Name2-(3-methylphenyl)-4-propoxybutan-1-ol
PubChem CID106459483
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-(3-methylphenyl)-4-propoxybutan-1-ol
SMILESCCCOCCC(CO)c1cccc(C)c1
InChIInChI=1S/C14H22O2/c1-3-8-16-9-7-14(11-15)13-6-4-5-12(2)10-13/h4-6,10,14-15H,3,7-9,11H2,1-2H3
InChIKeyRMEVKYGQNQCGHT-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-methylphenyl)-4-propoxybutan-1-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-methylphenyl)-3-propoxypropan-1-ol
CID 105077821
2-(3-methylphenyl)undecan-1-ol
CID 79417930
4-amino-2-(3-methylphenyl)butan-1-ol
CID 115015469
[1-(3-methylphenyl)-3-propoxypropyl]hydrazine
CID 105284873
1-(1-bromo-4-ethoxybutan-2-yl)-3-methylbenzene
CID 79424332
1-methyl-3-[1-[2-(3-methylphenyl)butoxy]butan-2-yl]benzene
CID 139620258
(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
CID 86327369
3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824
2-(3-fluorophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 104568651
N-methyl-4-(3-methylbutoxy)-2-(3-methylphenyl)butan-1-amine
CID 79416931
N-ethyl-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine
CID 79416737
4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine
CID 103183665

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-4-propoxybutan-1-ol?
The IUPAC name of 2-(3-methylphenyl)-4-propoxybutan-1-ol (CID 106459483) is 2-(3-methylphenyl)-4-propoxybutan-1-ol.
What is the SMILES notation for 2-(3-methylphenyl)-4-propoxybutan-1-ol?
The canonical SMILES for 2-(3-methylphenyl)-4-propoxybutan-1-ol is CCCOCCC(CO)c1cccc(C)c1.
What is the InChIKey of 2-(3-methylphenyl)-4-propoxybutan-1-ol?
The InChIKey is RMEVKYGQNQCGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-8-16-9-7-14(11-15)13-6-4-5-12(2)10-13/h4-6,10,14-15H,3,7-9,11H2,1-2H3.
What are the key properties of 2-(3-methylphenyl)-4-propoxybutan-1-ol?
2-(3-methylphenyl)-4-propoxybutan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-4-propoxybutan-1-ol is sourced from PubChem (CID 106459483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).