2-chloro-1-cyclopentyl-3-(dimethoxymethyl)benzene

C14H19ClO2 — CID 14793793

IUPAC2-chloro-1-cyclopentyl-3-(dimethoxymethyl)benzene
SMILESCOC(OC)c1cccc(C2CCCC2)c1Cl
InChIInChI=1S/C14H19ClO2/c1-16-14(17-2)12-9-5-8-11(13(12)15)10-6-3-4-7-10/h5,8-10,14H,3-4,6-7H2,1-2H3
InChIKeyLRIQRCZUMMYOCT-UHFFFAOYSA-N
MW254.76 g/mol
LogP4.29
Rot. Bonds4

About 2-chloro-1-cyclopentyl-3-(dimethoxymethyl)benzene

2-chloro-1-cyclopentyl-3-(dimethoxymethyl)benzene (PubChem CID 14793793) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-chloro-1-cyclopentyl-3-(dimethoxymethyl)benzene.

Molecular Properties

Compound Name2-chloro-1-cyclopentyl-3-(dimethoxymethyl)benzene
PubChem CID14793793
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name2-chloro-1-cyclopentyl-3-(dimethoxymethyl)benzene
SMILESCOC(OC)c1cccc(C2CCCC2)c1Cl
InChIInChI=1S/C14H19ClO2/c1-16-14(17-2)12-9-5-8-11(13(12)15)10-6-3-4-7-10/h5,8-10,14H,3-4,6-7H2,1-2H3
InChIKeyLRIQRCZUMMYOCT-UHFFFAOYSA-N
XLogP4.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-chloro-1-cyclopentyl-3-(dimethoxymethyl)benzene?
The IUPAC name of 2-chloro-1-cyclopentyl-3-(dimethoxymethyl)benzene (CID 14793793) is 2-chloro-1-cyclopentyl-3-(dimethoxymethyl)benzene.
What is the SMILES notation for 2-chloro-1-cyclopentyl-3-(dimethoxymethyl)benzene?
The canonical SMILES for 2-chloro-1-cyclopentyl-3-(dimethoxymethyl)benzene is COC(OC)c1cccc(C2CCCC2)c1Cl.
What is the InChIKey of 2-chloro-1-cyclopentyl-3-(dimethoxymethyl)benzene?
The InChIKey is LRIQRCZUMMYOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-16-14(17-2)12-9-5-8-11(13(12)15)10-6-3-4-7-10/h5,8-10,14H,3-4,6-7H2,1-2H3.
What are the key properties of 2-chloro-1-cyclopentyl-3-(dimethoxymethyl)benzene?
2-chloro-1-cyclopentyl-3-(dimethoxymethyl)benzene has a molecular weight of 254.76 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-cyclopentyl-3-(dimethoxymethyl)benzene is sourced from PubChem (CID 14793793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).