2-[2-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethyl]-1,3-dioxolane

C14H17ClO2 — CID 72985619

IUPAC2-[2-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethyl]-1,3-dioxolane
SMILESClc1ccc2c(c1)CCC2CCC1OCCO1
InChIInChI=1S/C14H17ClO2/c15-12-4-5-13-10(1-2-11(13)9-12)3-6-14-16-7-8-17-14/h4-5,9-10,14H,1-3,6-8H2
InChIKeyPMMLACBZIFCNFP-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.52
Rot. Bonds3

About 2-[2-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethyl]-1,3-dioxolane

2-[2-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethyl]-1,3-dioxolane (PubChem CID 72985619) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-[2-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethyl]-1,3-dioxolane
PubChem CID72985619
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name2-[2-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethyl]-1,3-dioxolane
SMILESClc1ccc2c(c1)CCC2CCC1OCCO1
InChIInChI=1S/C14H17ClO2/c15-12-4-5-13-10(1-2-11(13)9-12)3-6-14-16-7-8-17-14/h4-5,9-10,14H,1-3,6-8H2
InChIKeyPMMLACBZIFCNFP-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethyl]-1,3-dioxolane (CID 72985619) is 2-[2-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethyl]-1,3-dioxolane is Clc1ccc2c(c1)CCC2CCC1OCCO1.
What is the InChIKey of 2-[2-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethyl]-1,3-dioxolane?
The InChIKey is PMMLACBZIFCNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c15-12-4-5-13-10(1-2-11(13)9-12)3-6-14-16-7-8-17-14/h4-5,9-10,14H,1-3,6-8H2.
What are the key properties of 2-[2-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethyl]-1,3-dioxolane?
2-[2-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethyl]-1,3-dioxolane has a molecular weight of 252.74 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethyl]-1,3-dioxolane is sourced from PubChem (CID 72985619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).