2,10-dimethylanthracene;formaldehyde

C17H16O — CID 169199000

IUPAC2,10-dimethylanthracene;formaldehyde
SMILESC=O.Cc1ccc2c(C)c3ccccc3cc2c1
InChIInChI=1S/C16H14.CH2O/c1-11-7-8-16-12(2)15-6-4-3-5-13(15)10-14(16)9-11;1-2/h3-10H,1-2H3;1H2
InChIKeyNSYYGNUVGKEBDZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.42
Rot. Bonds

About 2,10-dimethylanthracene;formaldehyde

2,10-dimethylanthracene;formaldehyde (PubChem CID 169199000) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2,10-dimethylanthracene;formaldehyde.

Molecular Properties

Compound Name2,10-dimethylanthracene;formaldehyde
PubChem CID169199000
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name2,10-dimethylanthracene;formaldehyde
SMILESC=O.Cc1ccc2c(C)c3ccccc3cc2c1
InChIInChI=1S/C16H14.CH2O/c1-11-7-8-16-12(2)15-6-4-3-5-13(15)10-14(16)9-11;1-2/h3-10H,1-2H3;1H2
InChIKeyNSYYGNUVGKEBDZ-UHFFFAOYSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,10-dimethylanthracene;formaldehyde?
The IUPAC name of 2,10-dimethylanthracene;formaldehyde (CID 169199000) is 2,10-dimethylanthracene;formaldehyde.
What is the SMILES notation for 2,10-dimethylanthracene;formaldehyde?
The canonical SMILES for 2,10-dimethylanthracene;formaldehyde is C=O.Cc1ccc2c(C)c3ccccc3cc2c1.
What is the InChIKey of 2,10-dimethylanthracene;formaldehyde?
The InChIKey is NSYYGNUVGKEBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14.CH2O/c1-11-7-8-16-12(2)15-6-4-3-5-13(15)10-14(16)9-11;1-2/h3-10H,1-2H3;1H2.
What are the key properties of 2,10-dimethylanthracene;formaldehyde?
2,10-dimethylanthracene;formaldehyde has a molecular weight of 236.31 g/mol, XLogP of 4.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dimethylanthracene;formaldehyde is sourced from PubChem (CID 169199000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).