3-chloro-1,4-dimethoxy-2,5-bis(methoxymethoxy)benzene

C12H17ClO6 — CID 56613923

IUPAC3-chloro-1,4-dimethoxy-2,5-bis(methoxymethoxy)benzene
SMILESCOCOc1cc(OC)c(OCOC)c(Cl)c1OC
InChIInChI=1S/C12H17ClO6/c1-14-6-18-9-5-8(16-3)12(19-7-15-2)10(13)11(9)17-4/h5H,6-7H2,1-4H3
InChIKeyUCVZGLREXNDZID-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.32
Rot. Bonds8

About 3-chloro-1,4-dimethoxy-2,5-bis(methoxymethoxy)benzene

3-chloro-1,4-dimethoxy-2,5-bis(methoxymethoxy)benzene (PubChem CID 56613923) has the molecular formula C12H17ClO6 and a molecular weight of 292.72 g/mol. Its IUPAC name is 3-chloro-1,4-dimethoxy-2,5-bis(methoxymethoxy)benzene.

Molecular Properties

Compound Name3-chloro-1,4-dimethoxy-2,5-bis(methoxymethoxy)benzene
PubChem CID56613923
Molecular FormulaC12H17ClO6
Molecular Weight292.72 g/mol
Exact Mass292.07
IUPAC Name3-chloro-1,4-dimethoxy-2,5-bis(methoxymethoxy)benzene
SMILESCOCOc1cc(OC)c(OCOC)c(Cl)c1OC
InChIInChI=1S/C12H17ClO6/c1-14-6-18-9-5-8(16-3)12(19-7-15-2)10(13)11(9)17-4/h5H,6-7H2,1-4H3
InChIKeyUCVZGLREXNDZID-UHFFFAOYSA-N
XLogP2.32
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,3,4-trimethoxy-2,5-bis(methoxymethoxy)benzene
CID 56613855
3-(3-iodopropoxy)-1,4-dimethoxy-2,5-bis(methoxymethoxy)benzene
CID 54315298
5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene
CID 65364393
N-[[3-chloro-5-methoxy-4-(methoxymethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 65365611
5-chloro-3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 104665527
1,4-dimethoxy-2,5-bis(methoxymethoxy)-3-non-4-ynylbenzene
CID 19757192
5-chloro-3-methoxy-2-(methoxymethoxy)benzoic acid
CID 104665647
1,2,3-trimethoxy-5-[2-[4-methoxy-2,3-bis(methoxymethoxy)phenyl]ethyl]benzene
CID 11373561
2-(3-chloro-2,4,5-trimethoxyphenyl)acetic acid
CID 117406003
CID 88968963
CID 88968963
2-chloro-4-methoxy-3-(methoxymethoxy)pyridine
CID 102262534
1-[5-[2,5-dimethoxy-3,6-bis(methoxymethoxy)phenyl]pentyl]-2,5-dimethoxy-3,6-bis(methoxymethoxy)-4-non-4-ynylbenzene
CID 19757153

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,4-dimethoxy-2,5-bis(methoxymethoxy)benzene?
The IUPAC name of 3-chloro-1,4-dimethoxy-2,5-bis(methoxymethoxy)benzene (CID 56613923) is 3-chloro-1,4-dimethoxy-2,5-bis(methoxymethoxy)benzene.
What is the SMILES notation for 3-chloro-1,4-dimethoxy-2,5-bis(methoxymethoxy)benzene?
The canonical SMILES for 3-chloro-1,4-dimethoxy-2,5-bis(methoxymethoxy)benzene is COCOc1cc(OC)c(OCOC)c(Cl)c1OC.
What is the InChIKey of 3-chloro-1,4-dimethoxy-2,5-bis(methoxymethoxy)benzene?
The InChIKey is UCVZGLREXNDZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO6/c1-14-6-18-9-5-8(16-3)12(19-7-15-2)10(13)11(9)17-4/h5H,6-7H2,1-4H3.
What are the key properties of 3-chloro-1,4-dimethoxy-2,5-bis(methoxymethoxy)benzene?
3-chloro-1,4-dimethoxy-2,5-bis(methoxymethoxy)benzene has a molecular weight of 292.72 g/mol, XLogP of 2.32, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,4-dimethoxy-2,5-bis(methoxymethoxy)benzene is sourced from PubChem (CID 56613923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).