(9S,10R)-2,3-dimethyl-9,10-dihydroanthracene-9,10-dicarbaldehyde

C18H16O2 — CID 129386230

IUPAC(9S,10R)-2,3-dimethyl-9,10-dihydroanthracene-9,10-dicarbaldehyde
SMILESCc1cc2c(cc1C)[C@@H](C=O)c1ccccc1[C@H]2C=O
InChIInChI=1S/C18H16O2/c1-11-7-15-16(8-12(11)2)18(10-20)14-6-4-3-5-13(14)17(15)9-19/h3-10,17-18H,1-2H3/t17-,18+
InChIKeyCREDAWPCPFIZBW-HDICACEKSA-N
MW264.32 g/mol
LogP3.28
Rot. Bonds2

About (9S,10R)-2,3-dimethyl-9,10-dihydroanthracene-9,10-dicarbaldehyde

(9S,10R)-2,3-dimethyl-9,10-dihydroanthracene-9,10-dicarbaldehyde (PubChem CID 129386230) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is (9S,10R)-2,3-dimethyl-9,10-dihydroanthracene-9,10-dicarbaldehyde.

Molecular Properties

Compound Name(9S,10R)-2,3-dimethyl-9,10-dihydroanthracene-9,10-dicarbaldehyde
PubChem CID129386230
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name(9S,10R)-2,3-dimethyl-9,10-dihydroanthracene-9,10-dicarbaldehyde
SMILESCc1cc2c(cc1C)[C@@H](C=O)c1ccccc1[C@H]2C=O
InChIInChI=1S/C18H16O2/c1-11-7-15-16(8-12(11)2)18(10-20)14-6-4-3-5-13(14)17(15)9-19/h3-10,17-18H,1-2H3/t17-,18+
InChIKeyCREDAWPCPFIZBW-HDICACEKSA-N
XLogP3.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9H-fluorene-9-carbaldehyde
CID 11074281
4,5,11,12-tetramethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene
CID 4180281
9H-thioxanthene-9-carbaldehyde
CID 19958681
6-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carbaldehyde
CID 139402521
(9S,10R)-1-chloro-9,10-dihydroanthracene-9,10-dicarbaldehyde
CID 129385877
3-bromo-9H-fluorene-9-carbaldehyde
CID 174549083
(1R,8R,15S,16S)-4,5-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15,16-diol
CID 129387695
spiro[9H-anthracene-10,9'-fluorene]-9-carbaldehyde
CID 175453260
6-bromo-9-methyl-5H-benzo[7]annulene-5-carbaldehyde
CID 13400890
1,8-dimethyl-9H-fluorene-9-carbaldehyde
CID 174591685
5-hydroxy-2,3-dimethoxy-7H-benzo[c]fluorene-7-carbaldehyde
CID 175005782
3-bromo-9H-xanthene-9-carbaldehyde
CID 174494099

Frequently Asked Questions

What is the IUPAC name of (9S,10R)-2,3-dimethyl-9,10-dihydroanthracene-9,10-dicarbaldehyde?
The IUPAC name of (9S,10R)-2,3-dimethyl-9,10-dihydroanthracene-9,10-dicarbaldehyde (CID 129386230) is (9S,10R)-2,3-dimethyl-9,10-dihydroanthracene-9,10-dicarbaldehyde.
What is the SMILES notation for (9S,10R)-2,3-dimethyl-9,10-dihydroanthracene-9,10-dicarbaldehyde?
The canonical SMILES for (9S,10R)-2,3-dimethyl-9,10-dihydroanthracene-9,10-dicarbaldehyde is Cc1cc2c(cc1C)[C@@H](C=O)c1ccccc1[C@H]2C=O.
What is the InChIKey of (9S,10R)-2,3-dimethyl-9,10-dihydroanthracene-9,10-dicarbaldehyde?
The InChIKey is CREDAWPCPFIZBW-HDICACEKSA-N. The full InChI is InChI=1S/C18H16O2/c1-11-7-15-16(8-12(11)2)18(10-20)14-6-4-3-5-13(14)17(15)9-19/h3-10,17-18H,1-2H3/t17-,18+.
What are the key properties of (9S,10R)-2,3-dimethyl-9,10-dihydroanthracene-9,10-dicarbaldehyde?
(9S,10R)-2,3-dimethyl-9,10-dihydroanthracene-9,10-dicarbaldehyde has a molecular weight of 264.32 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9S,10R)-2,3-dimethyl-9,10-dihydroanthracene-9,10-dicarbaldehyde is sourced from PubChem (CID 129386230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).