3-methoxypropylbenzene

C10H14O — CID 576410

IUPAC3-methoxypropylbenzene
SMILESCOCCCc1ccccc1
InChIInChI=1S/C10H14O/c1-11-9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKeyFWJPBLZTIQGEGB-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.27
Rot. Bonds4

About 3-methoxypropylbenzene

3-methoxypropylbenzene (PubChem CID 576410) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-methoxypropylbenzene.

Molecular Properties

Compound Name3-methoxypropylbenzene
PubChem CID576410
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name3-methoxypropylbenzene
SMILESCOCCCc1ccccc1
InChIInChI=1S/C10H14O/c1-11-9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKeyFWJPBLZTIQGEGB-UHFFFAOYSA-N
XLogP2.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-methoxypropylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropylbenzene?
The IUPAC name of 3-methoxypropylbenzene (CID 576410) is 3-methoxypropylbenzene.
What is the SMILES notation for 3-methoxypropylbenzene?
The canonical SMILES for 3-methoxypropylbenzene is COCCCc1ccccc1.
What is the InChIKey of 3-methoxypropylbenzene?
The InChIKey is FWJPBLZTIQGEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-11-9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3.
What are the key properties of 3-methoxypropylbenzene?
3-methoxypropylbenzene has a molecular weight of 150.22 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropylbenzene is sourced from PubChem (CID 576410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).