5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-1,3-dimethoxybenzene

C14H19ClO4 — CID 106929889

IUPAC5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-1,3-dimethoxybenzene
SMILESCOc1cc(CCl)cc(OC)c1OCOCC1CC1
InChIInChI=1S/C14H19ClO4/c1-16-12-5-11(7-15)6-13(17-2)14(12)19-9-18-8-10-3-4-10/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyUPBKIJUYPZRAIU-UHFFFAOYSA-N
MW286.75 g/mol
LogP3.21
Rot. Bonds8

About 5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-1,3-dimethoxybenzene

5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-1,3-dimethoxybenzene (PubChem CID 106929889) has the molecular formula C14H19ClO4 and a molecular weight of 286.75 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-1,3-dimethoxybenzene.

Molecular Properties

Compound Name5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-1,3-dimethoxybenzene
PubChem CID106929889
Molecular FormulaC14H19ClO4
Molecular Weight286.75 g/mol
Exact Mass286.10
IUPAC Name5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-1,3-dimethoxybenzene
SMILESCOc1cc(CCl)cc(OC)c1OCOCC1CC1
InChIInChI=1S/C14H19ClO4/c1-16-12-5-11(7-15)6-13(17-2)14(12)19-9-18-8-10-3-4-10/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyUPBKIJUYPZRAIU-UHFFFAOYSA-N
XLogP3.21
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.75
LogP ≤ 53.21
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-1,3-dimethoxybenzene 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-bromo-5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-3-methoxybenzene
CID 106929890
1-[4-(cyclopropylmethoxymethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 106929200
5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene
CID 65364393
1-chloro-5-(chloromethyl)-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65460365
4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene
CID 22456846
1-bromo-5-(chloromethyl)-2-(cyclohexylmethoxy)-3-methoxybenzene
CID 43622731
1,3-dibromo-5-(bromomethyl)-2-(cyclopropylmethoxymethoxy)benzene
CID 107745625
N-[[5-chloro-2-(cyclopropylmethoxymethoxy)-3-methoxyphenyl]methyl]ethanamine
CID 106929446
[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol
CID 65458991
[4-(cyclohexylmethoxy)-3,5-dimethoxyphenyl]methanol
CID 15752535
5-(chloromethyl)-1,3-dimethoxy-2-[2-(3-methoxypropoxy)ethoxy]benzene
CID 103180740
1,5-dichloro-3-(chloromethyl)-2-(cyclopropylmethoxymethoxy)benzene
CID 106929887

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-1,3-dimethoxybenzene?
The IUPAC name of 5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-1,3-dimethoxybenzene (CID 106929889) is 5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-1,3-dimethoxybenzene.
What is the SMILES notation for 5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-1,3-dimethoxybenzene?
The canonical SMILES for 5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-1,3-dimethoxybenzene is COc1cc(CCl)cc(OC)c1OCOCC1CC1.
What is the InChIKey of 5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-1,3-dimethoxybenzene?
The InChIKey is UPBKIJUYPZRAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO4/c1-16-12-5-11(7-15)6-13(17-2)14(12)19-9-18-8-10-3-4-10/h5-6,10H,3-4,7-9H2,1-2H3.
What are the key properties of 5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-1,3-dimethoxybenzene?
5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-1,3-dimethoxybenzene has a molecular weight of 286.75 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-1,3-dimethoxybenzene is sourced from PubChem (CID 106929889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).