4-methoxy-1-(3-methylphenyl)butan-1-ol

C12H18O2 — CID 62608574

IUPAC4-methoxy-1-(3-methylphenyl)butan-1-ol
SMILESCOCCCC(O)c1cccc(C)c1
InChIInChI=1S/C12H18O2/c1-10-5-3-6-11(9-10)12(13)7-4-8-14-2/h3,5-6,9,12-13H,4,7-8H2,1-2H3
InChIKeyPPKFVEAEVLYXRE-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.46
Rot. Bonds5

About 4-methoxy-1-(3-methylphenyl)butan-1-ol

4-methoxy-1-(3-methylphenyl)butan-1-ol (PubChem CID 62608574) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 4-methoxy-1-(3-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name4-methoxy-1-(3-methylphenyl)butan-1-ol
PubChem CID62608574
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name4-methoxy-1-(3-methylphenyl)butan-1-ol
SMILESCOCCCC(O)c1cccc(C)c1
InChIInChI=1S/C12H18O2/c1-10-5-3-6-11(9-10)12(13)7-4-8-14-2/h3,5-6,9,12-13H,4,7-8H2,1-2H3
InChIKeyPPKFVEAEVLYXRE-UHFFFAOYSA-N
XLogP2.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methoxy-1-(3-methylphenyl)butan-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)decan-1-ol
CID 63411280
1-(3-methylphenyl)-3-propoxypropan-1-ol
CID 105077821
3-(3-methylbutoxy)-1-(3-methylphenyl)propan-1-ol
CID 115001890
ethane;1-(3-methylphenyl)butan-1-ol
CID 143891671
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
1-[(3S)-1-methoxy-4-methylpentan-3-yl]-3-methylbenzene
CID 155032957
3-amino-1-[3-(3-methoxypropyl)phenyl]propan-1-ol
CID 42610605
4-methyl-1-(3-methylphenyl)pent-4-en-1-ol
CID 114473799
3-methoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360450
5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine
CID 79417297
1-[1-bromo-5-(2-methoxyethoxy)pentan-2-yl]-3-methylbenzene
CID 103415429
1-(1-methoxypropan-2-yl)-3-methylbenzene
CID 88998801

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(3-methylphenyl)butan-1-ol?
The IUPAC name of 4-methoxy-1-(3-methylphenyl)butan-1-ol (CID 62608574) is 4-methoxy-1-(3-methylphenyl)butan-1-ol.
What is the SMILES notation for 4-methoxy-1-(3-methylphenyl)butan-1-ol?
The canonical SMILES for 4-methoxy-1-(3-methylphenyl)butan-1-ol is COCCCC(O)c1cccc(C)c1.
What is the InChIKey of 4-methoxy-1-(3-methylphenyl)butan-1-ol?
The InChIKey is PPKFVEAEVLYXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-10-5-3-6-11(9-10)12(13)7-4-8-14-2/h3,5-6,9,12-13H,4,7-8H2,1-2H3.
What are the key properties of 4-methoxy-1-(3-methylphenyl)butan-1-ol?
4-methoxy-1-(3-methylphenyl)butan-1-ol has a molecular weight of 194.27 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(3-methylphenyl)butan-1-ol is sourced from PubChem (CID 62608574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).