2-(2-methyl-2,3-dihydroanthracen-9-yl)acetaldehyde

C17H16O — CID 145016291

IUPAC2-(2-methyl-2,3-dihydroanthracen-9-yl)acetaldehyde
SMILESCC1C=c2c(CC=O)c3ccccc3cc2=CC1
InChIInChI=1S/C17H16O/c1-12-6-7-14-11-13-4-2-3-5-15(13)16(8-9-18)17(14)10-12/h2-5,7,9-12H,6,8H2,1H3
InChIKeyODLGRCIUBWEXLA-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.18
Rot. Bonds2

About 2-(2-methyl-2,3-dihydroanthracen-9-yl)acetaldehyde

2-(2-methyl-2,3-dihydroanthracen-9-yl)acetaldehyde (PubChem CID 145016291) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydroanthracen-9-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydroanthracen-9-yl)acetaldehyde
PubChem CID145016291
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name2-(2-methyl-2,3-dihydroanthracen-9-yl)acetaldehyde
SMILESCC1C=c2c(CC=O)c3ccccc3cc2=CC1
InChIInChI=1S/C17H16O/c1-12-6-7-14-11-13-4-2-3-5-15(13)16(8-9-18)17(14)10-12/h2-5,7,9-12H,6,8H2,1H3
InChIKeyODLGRCIUBWEXLA-UHFFFAOYSA-N
XLogP2.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;9-ethyl-2-methyl-2,3-dihydroanthracene
CID 143572983
2-methyl-2,3-dihydrotetracene
CID 145409910
13-[2-(21-methyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,22-nonaen-13-yl)phenyl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 123315787
2,3-dihydroanthracen-9-ylmethanethiol
CID 88940343
4-methyl-2H-cyclopenta[b]naphthalene
CID 143909705
3-ethyl-2,3-dihydrophenanthrene
CID 174946736
2-naphthalen-1-ylacetaldehyde
CID 12570786
2,4-dimethyl-2H-cyclopenta[b]naphthalene
CID 144918704
9-(anthracen-9-ylmethyl)anthracene;ethane
CID 91026872
2-(2,6-dimethyl-4-phenoxyphenyl)acetaldehyde
CID 87392440
9-[(anthracen-9-ylmethyldiselanyl)methyl]anthracene
CID 12570915
2-(4,5-dimethylcyclohepten-1-yl)acetaldehyde
CID 143332052

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3-dihydroanthracen-9-yl)acetaldehyde?
The IUPAC name of 2-(2-methyl-2,3-dihydroanthracen-9-yl)acetaldehyde (CID 145016291) is 2-(2-methyl-2,3-dihydroanthracen-9-yl)acetaldehyde.
What is the SMILES notation for 2-(2-methyl-2,3-dihydroanthracen-9-yl)acetaldehyde?
The canonical SMILES for 2-(2-methyl-2,3-dihydroanthracen-9-yl)acetaldehyde is CC1C=c2c(CC=O)c3ccccc3cc2=CC1.
What is the InChIKey of 2-(2-methyl-2,3-dihydroanthracen-9-yl)acetaldehyde?
The InChIKey is ODLGRCIUBWEXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-12-6-7-14-11-13-4-2-3-5-15(13)16(8-9-18)17(14)10-12/h2-5,7,9-12H,6,8H2,1H3.
What are the key properties of 2-(2-methyl-2,3-dihydroanthracen-9-yl)acetaldehyde?
2-(2-methyl-2,3-dihydroanthracen-9-yl)acetaldehyde has a molecular weight of 236.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydroanthracen-9-yl)acetaldehyde is sourced from PubChem (CID 145016291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).