10-methoxyanthracene-1-carbaldehyde

C16H12O2 — CID 139642405

IUPAC10-methoxyanthracene-1-carbaldehyde
SMILESCOc1c2ccccc2cc2c(C=O)cccc12
InChIInChI=1S/C16H12O2/c1-18-16-13-7-3-2-5-11(13)9-15-12(10-17)6-4-8-14(15)16/h2-10H,1H3
InChIKeyIMJDUBKXCXBMOK-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.81
Rot. Bonds2

About 10-methoxyanthracene-1-carbaldehyde

10-methoxyanthracene-1-carbaldehyde (PubChem CID 139642405) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 10-methoxyanthracene-1-carbaldehyde.

Molecular Properties

Compound Name10-methoxyanthracene-1-carbaldehyde
PubChem CID139642405
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Name10-methoxyanthracene-1-carbaldehyde
SMILESCOc1c2ccccc2cc2c(C=O)cccc12
InChIInChI=1S/C16H12O2/c1-18-16-13-7-3-2-5-11(13)9-15-12(10-17)6-4-8-14(15)16/h2-10H,1H3
InChIKeyIMJDUBKXCXBMOK-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-methoxy-3-naphthalen-1-ylbenzaldehyde
CID 10879893
naphthalene-1-carbaldehyde;zinc
CID 88790891
naphthalene-1-carbaldehyde;hydroiodide
CID 172736279
1,4,9,10-tetramethoxyanthracene-2-carbaldehyde
CID 15089323
2-methoxy-3-(2-methylphenoxy)benzaldehyde
CID 13066662
2-methoxy-3-tritylbenzaldehyde
CID 87578069
3-acetyl-2-methoxybenzaldehyde
CID 148697874
3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde
CID 22685612
anthracen-1-yl 2-formylbenzoate
CID 141425213
3-methoxychrysene-5-carbaldehyde
CID 25194479
4-(2-methoxyethoxy)anthracene-1-carbaldehyde
CID 19738626
2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde
CID 161122515

Frequently Asked Questions

What is the IUPAC name of 10-methoxyanthracene-1-carbaldehyde?
The IUPAC name of 10-methoxyanthracene-1-carbaldehyde (CID 139642405) is 10-methoxyanthracene-1-carbaldehyde.
What is the SMILES notation for 10-methoxyanthracene-1-carbaldehyde?
The canonical SMILES for 10-methoxyanthracene-1-carbaldehyde is COc1c2ccccc2cc2c(C=O)cccc12.
What is the InChIKey of 10-methoxyanthracene-1-carbaldehyde?
The InChIKey is IMJDUBKXCXBMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2/c1-18-16-13-7-3-2-5-11(13)9-15-12(10-17)6-4-8-14(15)16/h2-10H,1H3.
What are the key properties of 10-methoxyanthracene-1-carbaldehyde?
10-methoxyanthracene-1-carbaldehyde has a molecular weight of 236.27 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxyanthracene-1-carbaldehyde is sourced from PubChem (CID 139642405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).