3-chloro-2-phenyl-2H-chromene-4-carbaldehyde

C16H11ClO2 — CID 13393803

IUPAC3-chloro-2-phenyl-2H-chromene-4-carbaldehyde
SMILESO=CC1=C(Cl)C(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C16H11ClO2/c17-15-13(10-18)12-8-4-5-9-14(12)19-16(15)11-6-2-1-3-7-11/h1-10,16H
InChIKeyHJSTVTHRVHYLCP-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.97
Rot. Bonds2

About 3-chloro-2-phenyl-2H-chromene-4-carbaldehyde

3-chloro-2-phenyl-2H-chromene-4-carbaldehyde (PubChem CID 13393803) has the molecular formula C16H11ClO2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-chloro-2-phenyl-2H-chromene-4-carbaldehyde.

Molecular Properties

Compound Name3-chloro-2-phenyl-2H-chromene-4-carbaldehyde
PubChem CID13393803
Molecular FormulaC16H11ClO2
Molecular Weight270.72 g/mol
Exact Mass270.04
IUPAC Name3-chloro-2-phenyl-2H-chromene-4-carbaldehyde
SMILESO=CC1=C(Cl)C(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C16H11ClO2/c17-15-13(10-18)12-8-4-5-9-14(12)19-16(15)11-6-2-1-3-7-11/h1-10,16H
InChIKeyHJSTVTHRVHYLCP-UHFFFAOYSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-phenyl-2H-chromene-4-carbaldehyde?
The IUPAC name of 3-chloro-2-phenyl-2H-chromene-4-carbaldehyde (CID 13393803) is 3-chloro-2-phenyl-2H-chromene-4-carbaldehyde.
What is the SMILES notation for 3-chloro-2-phenyl-2H-chromene-4-carbaldehyde?
The canonical SMILES for 3-chloro-2-phenyl-2H-chromene-4-carbaldehyde is O=CC1=C(Cl)C(c2ccccc2)Oc2ccccc21.
What is the InChIKey of 3-chloro-2-phenyl-2H-chromene-4-carbaldehyde?
The InChIKey is HJSTVTHRVHYLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO2/c17-15-13(10-18)12-8-4-5-9-14(12)19-16(15)11-6-2-1-3-7-11/h1-10,16H.
What are the key properties of 3-chloro-2-phenyl-2H-chromene-4-carbaldehyde?
3-chloro-2-phenyl-2H-chromene-4-carbaldehyde has a molecular weight of 270.72 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-phenyl-2H-chromene-4-carbaldehyde is sourced from PubChem (CID 13393803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).