1-(3-chloro-3-cyclopropylpropyl)-2,4-dimethoxybenzene

C14H19ClO2 — CID 64507317

IUPAC1-(3-chloro-3-cyclopropylpropyl)-2,4-dimethoxybenzene
SMILESCOc1ccc(CCC(Cl)C2CC2)c(OC)c1
InChIInChI=1S/C14H19ClO2/c1-16-12-7-5-11(14(9-12)17-2)6-8-13(15)10-3-4-10/h5,7,9-10,13H,3-4,6,8H2,1-2H3
InChIKeyGELWWJYTDUCFNG-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.65
Rot. Bonds6

About 1-(3-chloro-3-cyclopropylpropyl)-2,4-dimethoxybenzene

1-(3-chloro-3-cyclopropylpropyl)-2,4-dimethoxybenzene (PubChem CID 64507317) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-(3-chloro-3-cyclopropylpropyl)-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-(3-chloro-3-cyclopropylpropyl)-2,4-dimethoxybenzene
PubChem CID64507317
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name1-(3-chloro-3-cyclopropylpropyl)-2,4-dimethoxybenzene
SMILESCOc1ccc(CCC(Cl)C2CC2)c(OC)c1
InChIInChI=1S/C14H19ClO2/c1-16-12-7-5-11(14(9-12)17-2)6-8-13(15)10-3-4-10/h5,7,9-10,13H,3-4,6,8H2,1-2H3
InChIKeyGELWWJYTDUCFNG-UHFFFAOYSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43400133
1-(3-chloro-3-cyclopropylpropyl)-2-methoxy-3,4-dimethylbenzene
CID 103434392
N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine
CID 62801628
3-(2,4-dimethoxyphenyl)propane-1-thiol
CID 94681824
(1R)-3-(2,4-dimethoxyphenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol
CID 129388716
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
1,2-bis[2-(2,4-dimethoxyphenyl)ethyl]pyrazolidin-4-amine
CID 20519799
1-(2-chloro-2-cyclopropylethyl)-4-methoxy-2-nitrobenzene
CID 63353069
2-[2-(2,4-dimethoxyphenyl)ethyl]cyclohexane-1,3-dione
CID 165345675
N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylpropan-2-amine
CID 117044148
N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 2852810
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-3-cyclopropylpropyl)-2,4-dimethoxybenzene?
The IUPAC name of 1-(3-chloro-3-cyclopropylpropyl)-2,4-dimethoxybenzene (CID 64507317) is 1-(3-chloro-3-cyclopropylpropyl)-2,4-dimethoxybenzene.
What is the SMILES notation for 1-(3-chloro-3-cyclopropylpropyl)-2,4-dimethoxybenzene?
The canonical SMILES for 1-(3-chloro-3-cyclopropylpropyl)-2,4-dimethoxybenzene is COc1ccc(CCC(Cl)C2CC2)c(OC)c1.
What is the InChIKey of 1-(3-chloro-3-cyclopropylpropyl)-2,4-dimethoxybenzene?
The InChIKey is GELWWJYTDUCFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-16-12-7-5-11(14(9-12)17-2)6-8-13(15)10-3-4-10/h5,7,9-10,13H,3-4,6,8H2,1-2H3.
What are the key properties of 1-(3-chloro-3-cyclopropylpropyl)-2,4-dimethoxybenzene?
1-(3-chloro-3-cyclopropylpropyl)-2,4-dimethoxybenzene has a molecular weight of 254.76 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-3-cyclopropylpropyl)-2,4-dimethoxybenzene is sourced from PubChem (CID 64507317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).