(9S,10R)-1-chloro-9,10-dihydroanthracene-9,10-dicarbaldehyde

C16H11ClO2 — CID 129385877

IUPAC(9S,10R)-1-chloro-9,10-dihydroanthracene-9,10-dicarbaldehyde
SMILESO=C[C@@H]1c2ccccc2[C@H](C=O)c2c(Cl)cccc21
InChIInChI=1S/C16H11ClO2/c17-15-7-3-6-12-13(8-18)10-4-1-2-5-11(10)14(9-19)16(12)15/h1-9,13-14H/t13-,14+/m1/s1
InChIKeySQRXDDXPBMBWJJ-KGLIPLIRSA-N
MW270.72 g/mol
LogP3.32
Rot. Bonds2

About (9S,10R)-1-chloro-9,10-dihydroanthracene-9,10-dicarbaldehyde

(9S,10R)-1-chloro-9,10-dihydroanthracene-9,10-dicarbaldehyde (PubChem CID 129385877) has the molecular formula C16H11ClO2 and a molecular weight of 270.72 g/mol. Its IUPAC name is (9S,10R)-1-chloro-9,10-dihydroanthracene-9,10-dicarbaldehyde.

Molecular Properties

Compound Name(9S,10R)-1-chloro-9,10-dihydroanthracene-9,10-dicarbaldehyde
PubChem CID129385877
Molecular FormulaC16H11ClO2
Molecular Weight270.72 g/mol
Exact Mass270.04
IUPAC Name(9S,10R)-1-chloro-9,10-dihydroanthracene-9,10-dicarbaldehyde
SMILESO=C[C@@H]1c2ccccc2[C@H](C=O)c2c(Cl)cccc21
InChIInChI=1S/C16H11ClO2/c17-15-7-3-6-12-13(8-18)10-4-1-2-5-11(10)14(9-19)16(12)15/h1-9,13-14H/t13-,14+/m1/s1
InChIKeySQRXDDXPBMBWJJ-KGLIPLIRSA-N
XLogP3.32
TPSA34.14 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 ≤ 53.32
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 (9S,10R)-1-chloro-9,10-dihydroanthracene-9,10-dicarbaldehyde?
The IUPAC name of (9S,10R)-1-chloro-9,10-dihydroanthracene-9,10-dicarbaldehyde (CID 129385877) is (9S,10R)-1-chloro-9,10-dihydroanthracene-9,10-dicarbaldehyde.
What is the SMILES notation for (9S,10R)-1-chloro-9,10-dihydroanthracene-9,10-dicarbaldehyde?
The canonical SMILES for (9S,10R)-1-chloro-9,10-dihydroanthracene-9,10-dicarbaldehyde is O=C[C@@H]1c2ccccc2[C@H](C=O)c2c(Cl)cccc21.
What is the InChIKey of (9S,10R)-1-chloro-9,10-dihydroanthracene-9,10-dicarbaldehyde?
The InChIKey is SQRXDDXPBMBWJJ-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H11ClO2/c17-15-7-3-6-12-13(8-18)10-4-1-2-5-11(10)14(9-19)16(12)15/h1-9,13-14H/t13-,14+/m1/s1.
What are the key properties of (9S,10R)-1-chloro-9,10-dihydroanthracene-9,10-dicarbaldehyde?
(9S,10R)-1-chloro-9,10-dihydroanthracene-9,10-dicarbaldehyde has a molecular weight of 270.72 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9S,10R)-1-chloro-9,10-dihydroanthracene-9,10-dicarbaldehyde is sourced from PubChem (CID 129385877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).