1-chloro-2-cyclopropyl-5-methoxy-3-(methoxymethoxy)benzene

C12H15ClO3 — CID 171478944

IUPAC1-chloro-2-cyclopropyl-5-methoxy-3-(methoxymethoxy)benzene
SMILESCOCOc1cc(OC)cc(Cl)c1C1CC1
InChIInChI=1S/C12H15ClO3/c1-14-7-16-11-6-9(15-2)5-10(13)12(11)8-3-4-8/h5-6,8H,3-4,7H2,1-2H3
InChIKeyZSAZZSBNZJAYFT-UHFFFAOYSA-N
MW242.70 g/mol
LogP3.21
Rot. Bonds5

About 1-chloro-2-cyclopropyl-5-methoxy-3-(methoxymethoxy)benzene

1-chloro-2-cyclopropyl-5-methoxy-3-(methoxymethoxy)benzene (PubChem CID 171478944) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is 1-chloro-2-cyclopropyl-5-methoxy-3-(methoxymethoxy)benzene.

Molecular Properties

Compound Name1-chloro-2-cyclopropyl-5-methoxy-3-(methoxymethoxy)benzene
PubChem CID171478944
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name1-chloro-2-cyclopropyl-5-methoxy-3-(methoxymethoxy)benzene
SMILESCOCOc1cc(OC)cc(Cl)c1C1CC1
InChIInChI=1S/C12H15ClO3/c1-14-7-16-11-6-9(15-2)5-10(13)12(11)8-3-4-8/h5-6,8H,3-4,7H2,1-2H3
InChIKeyZSAZZSBNZJAYFT-UHFFFAOYSA-N
XLogP3.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-cyclopropyl-5-methoxy-3-(methoxymethoxy)benzene?
The IUPAC name of 1-chloro-2-cyclopropyl-5-methoxy-3-(methoxymethoxy)benzene (CID 171478944) is 1-chloro-2-cyclopropyl-5-methoxy-3-(methoxymethoxy)benzene.
What is the SMILES notation for 1-chloro-2-cyclopropyl-5-methoxy-3-(methoxymethoxy)benzene?
The canonical SMILES for 1-chloro-2-cyclopropyl-5-methoxy-3-(methoxymethoxy)benzene is COCOc1cc(OC)cc(Cl)c1C1CC1.
What is the InChIKey of 1-chloro-2-cyclopropyl-5-methoxy-3-(methoxymethoxy)benzene?
The InChIKey is ZSAZZSBNZJAYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-14-7-16-11-6-9(15-2)5-10(13)12(11)8-3-4-8/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 1-chloro-2-cyclopropyl-5-methoxy-3-(methoxymethoxy)benzene?
1-chloro-2-cyclopropyl-5-methoxy-3-(methoxymethoxy)benzene has a molecular weight of 242.70 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-cyclopropyl-5-methoxy-3-(methoxymethoxy)benzene is sourced from PubChem (CID 171478944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).