6-methylanthracene-2-carbaldehyde

C16H12O — CID 156805593

IUPAC6-methylanthracene-2-carbaldehyde
SMILESCc1ccc2cc3cc(C=O)ccc3cc2c1
InChIInChI=1S/C16H12O/c1-11-2-4-13-9-16-7-12(10-17)3-5-14(16)8-15(13)6-11/h2-10H,1H3
InChIKeyFIYXPTIAAAGROR-UHFFFAOYSA-N
MW220.27 g/mol
LogP4.11
Rot. Bonds1

About 6-methylanthracene-2-carbaldehyde

6-methylanthracene-2-carbaldehyde (PubChem CID 156805593) has the molecular formula C16H12O and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-methylanthracene-2-carbaldehyde.

Molecular Properties

Compound Name6-methylanthracene-2-carbaldehyde
PubChem CID156805593
Molecular FormulaC16H12O
Molecular Weight220.27 g/mol
Exact Mass220.09
IUPAC Name6-methylanthracene-2-carbaldehyde
SMILESCc1ccc2cc3cc(C=O)ccc3cc2c1
InChIInChI=1S/C16H12O/c1-11-2-4-13-9-16-7-12(10-17)3-5-14(16)8-15(13)6-11/h2-10H,1H3
InChIKeyFIYXPTIAAAGROR-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-methylnaphthalene-2-carbaldehyde
CID 6452268
naphthalene-2,6-dicarbaldehyde
CID 159038637
2,9-dimethylpentacene
CID 11460950
2-methyl-7-[(E)-2-(7-methylnaphthalen-2-yl)ethenyl]naphthalene
CID 6109061
2,6-dimethylnaphthalene;6-formylnaphthalene-2-carboxylic acid;6-(hydroxymethyl)naphthalene-2-carboxylic acid;6-methylnaphthalene-2-carbaldehyde;6-methylnaphthalene-2-carboxylic acid;(6-methylnaphthalen-2-yl)methanol;naphthalene-2,6-dicarboxylic acid
CID 173237128
2,6-dimethylnaphthalene;propane
CID 142191183
4-methylbenzoic acid;naphthalene-2-carbaldehyde
CID 88811859
N-methylmethanamine;naphthalene-2-carbaldehyde
CID 174771308
6-methyl-2,3-dimethylidenenaphthalene
CID 123701637
2-methyl-6-(6-methylnaphthalen-2-yl)anthracene
CID 140780842
(E)-3-(6-methylnaphthalen-2-yl)prop-2-enoic acid
CID 116866093
6-[(6-formylnaphthalen-2-yl)-dimethylsilyl]naphthalene-2-carbaldehyde
CID 166514383

Frequently Asked Questions

What is the IUPAC name of 6-methylanthracene-2-carbaldehyde?
The IUPAC name of 6-methylanthracene-2-carbaldehyde (CID 156805593) is 6-methylanthracene-2-carbaldehyde.
What is the SMILES notation for 6-methylanthracene-2-carbaldehyde?
The canonical SMILES for 6-methylanthracene-2-carbaldehyde is Cc1ccc2cc3cc(C=O)ccc3cc2c1.
What is the InChIKey of 6-methylanthracene-2-carbaldehyde?
The InChIKey is FIYXPTIAAAGROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O/c1-11-2-4-13-9-16-7-12(10-17)3-5-14(16)8-15(13)6-11/h2-10H,1H3.
What are the key properties of 6-methylanthracene-2-carbaldehyde?
6-methylanthracene-2-carbaldehyde has a molecular weight of 220.27 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylanthracene-2-carbaldehyde is sourced from PubChem (CID 156805593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).