2-[(1S)-1-chloroethyl]dibenzofuran

C14H11ClO — CID 129370090

IUPAC2-[(1S)-1-chloroethyl]dibenzofuran
SMILESC[C@H](Cl)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C14H11ClO/c1-9(15)10-6-7-14-12(8-10)11-4-2-3-5-13(11)16-14/h2-9H,1H3/t9-/m0/s1
InChIKeyZHZOMSJTUJQITO-VIFPVBQESA-N
MW230.69 g/mol
LogP4.89
Rot. Bonds1

About 2-[(1S)-1-chloroethyl]dibenzofuran

2-[(1S)-1-chloroethyl]dibenzofuran (PubChem CID 129370090) has the molecular formula C14H11ClO and a molecular weight of 230.69 g/mol. Its IUPAC name is 2-[(1S)-1-chloroethyl]dibenzofuran.

Molecular Properties

Compound Name2-[(1S)-1-chloroethyl]dibenzofuran
PubChem CID129370090
Molecular FormulaC14H11ClO
Molecular Weight230.69 g/mol
Exact Mass230.05
IUPAC Name2-[(1S)-1-chloroethyl]dibenzofuran
SMILESC[C@H](Cl)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C14H11ClO/c1-9(15)10-6-7-14-12(8-10)11-4-2-3-5-13(11)16-14/h2-9H,1H3/t9-/m0/s1
InChIKeyZHZOMSJTUJQITO-VIFPVBQESA-N
XLogP4.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 54.89
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-[(1S)-1-chloroethyl]dibenzofuran?
The IUPAC name of 2-[(1S)-1-chloroethyl]dibenzofuran (CID 129370090) is 2-[(1S)-1-chloroethyl]dibenzofuran.
What is the SMILES notation for 2-[(1S)-1-chloroethyl]dibenzofuran?
The canonical SMILES for 2-[(1S)-1-chloroethyl]dibenzofuran is C[C@H](Cl)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 2-[(1S)-1-chloroethyl]dibenzofuran?
The InChIKey is ZHZOMSJTUJQITO-VIFPVBQESA-N. The full InChI is InChI=1S/C14H11ClO/c1-9(15)10-6-7-14-12(8-10)11-4-2-3-5-13(11)16-14/h2-9H,1H3/t9-/m0/s1.
What are the key properties of 2-[(1S)-1-chloroethyl]dibenzofuran?
2-[(1S)-1-chloroethyl]dibenzofuran has a molecular weight of 230.69 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-chloroethyl]dibenzofuran is sourced from PubChem (CID 129370090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).