2-(1-chloroethyl)-9H-xanthene

C15H13ClO — CID 18544576

IUPAC2-(1-chloroethyl)-9H-xanthene
SMILESCC(Cl)c1ccc2c(c1)Cc1ccccc1O2
InChIInChI=1S/C15H13ClO/c1-10(16)11-6-7-15-13(8-11)9-12-4-2-3-5-14(12)17-15/h2-8,10H,9H2,1H3
InChIKeyGAEGJGOLYYOQNI-UHFFFAOYSA-N
MW244.72 g/mol
LogP4.68
Rot. Bonds1

About 2-(1-chloroethyl)-9H-xanthene

2-(1-chloroethyl)-9H-xanthene (PubChem CID 18544576) has the molecular formula C15H13ClO and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-(1-chloroethyl)-9H-xanthene.

Molecular Properties

Compound Name2-(1-chloroethyl)-9H-xanthene
PubChem CID18544576
Molecular FormulaC15H13ClO
Molecular Weight244.72 g/mol
Exact Mass244.07
IUPAC Name2-(1-chloroethyl)-9H-xanthene
SMILESCC(Cl)c1ccc2c(c1)Cc1ccccc1O2
InChIInChI=1S/C15H13ClO/c1-10(16)11-6-7-15-13(8-11)9-12-4-2-3-5-14(12)17-15/h2-8,10H,9H2,1H3
InChIKeyGAEGJGOLYYOQNI-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-9H-xanthene?
The IUPAC name of 2-(1-chloroethyl)-9H-xanthene (CID 18544576) is 2-(1-chloroethyl)-9H-xanthene.
What is the SMILES notation for 2-(1-chloroethyl)-9H-xanthene?
The canonical SMILES for 2-(1-chloroethyl)-9H-xanthene is CC(Cl)c1ccc2c(c1)Cc1ccccc1O2.
What is the InChIKey of 2-(1-chloroethyl)-9H-xanthene?
The InChIKey is GAEGJGOLYYOQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO/c1-10(16)11-6-7-15-13(8-11)9-12-4-2-3-5-14(12)17-15/h2-8,10H,9H2,1H3.
What are the key properties of 2-(1-chloroethyl)-9H-xanthene?
2-(1-chloroethyl)-9H-xanthene has a molecular weight of 244.72 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-9H-xanthene is sourced from PubChem (CID 18544576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).