4-(chloromethyl)-2-methoxy-1-[2-(3-methoxypropoxy)ethoxy]benzene

C14H21ClO4 — CID 103180693

IUPAC4-(chloromethyl)-2-methoxy-1-[2-(3-methoxypropoxy)ethoxy]benzene
SMILESCOCCCOCCOc1ccc(CCl)cc1OC
InChIInChI=1S/C14H21ClO4/c1-16-6-3-7-18-8-9-19-13-5-4-12(11-15)10-14(13)17-2/h4-5,10H,3,6-9,11H2,1-2H3
InChIKeyMORLPAGMORMYIJ-UHFFFAOYSA-N
MW288.77 g/mol
LogP2.87
Rot. Bonds10

About 4-(chloromethyl)-2-methoxy-1-[2-(3-methoxypropoxy)ethoxy]benzene

4-(chloromethyl)-2-methoxy-1-[2-(3-methoxypropoxy)ethoxy]benzene (PubChem CID 103180693) has the molecular formula C14H21ClO4 and a molecular weight of 288.77 g/mol. Its IUPAC name is 4-(chloromethyl)-2-methoxy-1-[2-(3-methoxypropoxy)ethoxy]benzene.

Molecular Properties

Compound Name4-(chloromethyl)-2-methoxy-1-[2-(3-methoxypropoxy)ethoxy]benzene
PubChem CID103180693
Molecular FormulaC14H21ClO4
Molecular Weight288.77 g/mol
Exact Mass288.11
IUPAC Name4-(chloromethyl)-2-methoxy-1-[2-(3-methoxypropoxy)ethoxy]benzene
SMILESCOCCCOCCOc1ccc(CCl)cc1OC
InChIInChI=1S/C14H21ClO4/c1-16-6-3-7-18-8-9-19-13-5-4-12(11-15)10-14(13)17-2/h4-5,10H,3,6-9,11H2,1-2H3
InChIKeyMORLPAGMORMYIJ-UHFFFAOYSA-N
XLogP2.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-1,3-dimethoxy-2-[2-(3-methoxypropoxy)ethoxy]benzene
CID 103180740
3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103179915
[4-(2-butoxyethoxy)-3-methoxyphenyl]methanol
CID 61035977
1-[4-methoxy-3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine
CID 103408997
3-methoxy-4-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 103408909
N-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine
CID 54935357
1-[4-[2-(2-chloroethoxy)ethoxy]-3-methoxyphenyl]propan-2-amine
CID 170864453
[3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride
CID 43810786
3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine
CID 170879181
1-(chloromethyl)-3-[3-(2-methoxyethoxy)propoxy]benzene
CID 103410378
4-(bromomethyl)-2-fluoro-1-[2-(3-methoxypropoxy)ethoxy]benzene
CID 107691568
1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene
CID 103184397

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-methoxy-1-[2-(3-methoxypropoxy)ethoxy]benzene?
The IUPAC name of 4-(chloromethyl)-2-methoxy-1-[2-(3-methoxypropoxy)ethoxy]benzene (CID 103180693) is 4-(chloromethyl)-2-methoxy-1-[2-(3-methoxypropoxy)ethoxy]benzene.
What is the SMILES notation for 4-(chloromethyl)-2-methoxy-1-[2-(3-methoxypropoxy)ethoxy]benzene?
The canonical SMILES for 4-(chloromethyl)-2-methoxy-1-[2-(3-methoxypropoxy)ethoxy]benzene is COCCCOCCOc1ccc(CCl)cc1OC.
What is the InChIKey of 4-(chloromethyl)-2-methoxy-1-[2-(3-methoxypropoxy)ethoxy]benzene?
The InChIKey is MORLPAGMORMYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO4/c1-16-6-3-7-18-8-9-19-13-5-4-12(11-15)10-14(13)17-2/h4-5,10H,3,6-9,11H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-methoxy-1-[2-(3-methoxypropoxy)ethoxy]benzene?
4-(chloromethyl)-2-methoxy-1-[2-(3-methoxypropoxy)ethoxy]benzene has a molecular weight of 288.77 g/mol, XLogP of 2.87, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-methoxy-1-[2-(3-methoxypropoxy)ethoxy]benzene is sourced from PubChem (CID 103180693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).