5-(chloromethyl)-1,3-dimethoxy-2-[2-(3-methoxypropoxy)ethoxy]benzene

C15H23ClO5 — CID 103180740

IUPAC5-(chloromethyl)-1,3-dimethoxy-2-[2-(3-methoxypropoxy)ethoxy]benzene
SMILESCOCCCOCCOc1c(OC)cc(CCl)cc1OC
InChIInChI=1S/C15H23ClO5/c1-17-5-4-6-20-7-8-21-15-13(18-2)9-12(11-16)10-14(15)19-3/h9-10H,4-8,11H2,1-3H3
InChIKeyWYTBSETVMZQCBD-UHFFFAOYSA-N
MW318.80 g/mol
LogP2.87
Rot. Bonds11

About 5-(chloromethyl)-1,3-dimethoxy-2-[2-(3-methoxypropoxy)ethoxy]benzene

5-(chloromethyl)-1,3-dimethoxy-2-[2-(3-methoxypropoxy)ethoxy]benzene (PubChem CID 103180740) has the molecular formula C15H23ClO5 and a molecular weight of 318.80 g/mol. Its IUPAC name is 5-(chloromethyl)-1,3-dimethoxy-2-[2-(3-methoxypropoxy)ethoxy]benzene.

Molecular Properties

Compound Name5-(chloromethyl)-1,3-dimethoxy-2-[2-(3-methoxypropoxy)ethoxy]benzene
PubChem CID103180740
Molecular FormulaC15H23ClO5
Molecular Weight318.80 g/mol
Exact Mass318.12
IUPAC Name5-(chloromethyl)-1,3-dimethoxy-2-[2-(3-methoxypropoxy)ethoxy]benzene
SMILESCOCCCOCCOc1c(OC)cc(CCl)cc1OC
InChIInChI=1S/C15H23ClO5/c1-17-5-4-6-20-7-8-21-15-13(18-2)9-12(11-16)10-14(15)19-3/h9-10H,4-8,11H2,1-3H3
InChIKeyWYTBSETVMZQCBD-UHFFFAOYSA-N
XLogP2.87
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-1,3-dimethoxy-2-[2-(3-methoxypropoxy)ethoxy]benzene 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

4-(chloromethyl)-2-methoxy-1-[2-(3-methoxypropoxy)ethoxy]benzene
CID 103180693
1-bromo-5-(chloromethyl)-3-methoxy-2-(3-methoxypropoxy)benzene
CID 54935509
1-bromo-5-(chloromethyl)-2-(3-ethoxypropoxy)-3-methoxybenzene
CID 65175709
5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene
CID 65364393
1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
CID 54936066
5-(chloromethyl)-1,3-difluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104564276
[3,5-dimethoxy-4-(4-methoxybutoxy)phenyl]methanamine
CID 104646966
2-[5-chloro-3-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
CID 103181909
5-(chloromethyl)-2-(2-ethylsulfanylethoxy)-1,3-dimethoxybenzene
CID 113473809
[3,5-dibromo-4-[2-(3-methoxypropoxy)ethoxy]phenyl]methanamine
CID 107741510
[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol
CID 113436945
5-[4-(chloromethyl)-2,6-dimethoxyphenoxy]-2,2-dimethylpentanenitrile
CID 65255725

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1,3-dimethoxy-2-[2-(3-methoxypropoxy)ethoxy]benzene?
The IUPAC name of 5-(chloromethyl)-1,3-dimethoxy-2-[2-(3-methoxypropoxy)ethoxy]benzene (CID 103180740) is 5-(chloromethyl)-1,3-dimethoxy-2-[2-(3-methoxypropoxy)ethoxy]benzene.
What is the SMILES notation for 5-(chloromethyl)-1,3-dimethoxy-2-[2-(3-methoxypropoxy)ethoxy]benzene?
The canonical SMILES for 5-(chloromethyl)-1,3-dimethoxy-2-[2-(3-methoxypropoxy)ethoxy]benzene is COCCCOCCOc1c(OC)cc(CCl)cc1OC.
What is the InChIKey of 5-(chloromethyl)-1,3-dimethoxy-2-[2-(3-methoxypropoxy)ethoxy]benzene?
The InChIKey is WYTBSETVMZQCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO5/c1-17-5-4-6-20-7-8-21-15-13(18-2)9-12(11-16)10-14(15)19-3/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 5-(chloromethyl)-1,3-dimethoxy-2-[2-(3-methoxypropoxy)ethoxy]benzene?
5-(chloromethyl)-1,3-dimethoxy-2-[2-(3-methoxypropoxy)ethoxy]benzene has a molecular weight of 318.80 g/mol, XLogP of 2.87, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1,3-dimethoxy-2-[2-(3-methoxypropoxy)ethoxy]benzene is sourced from PubChem (CID 103180740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).