6-methoxy-5-methylnaphthalene-2-carbaldehyde

C13H12O2 — CID 58518906

IUPAC6-methoxy-5-methylnaphthalene-2-carbaldehyde
SMILESCOc1ccc2cc(C=O)ccc2c1C
InChIInChI=1S/C13H12O2/c1-9-12-5-3-10(8-14)7-11(12)4-6-13(9)15-2/h3-8H,1-2H3
InChIKeyOFCRTJQAELFDEB-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.97
Rot. Bonds2

About 6-methoxy-5-methylnaphthalene-2-carbaldehyde

6-methoxy-5-methylnaphthalene-2-carbaldehyde (PubChem CID 58518906) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 6-methoxy-5-methylnaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-5-methylnaphthalene-2-carbaldehyde
PubChem CID58518906
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name6-methoxy-5-methylnaphthalene-2-carbaldehyde
SMILESCOc1ccc2cc(C=O)ccc2c1C
InChIInChI=1S/C13H12O2/c1-9-12-5-3-10(8-14)7-11(12)4-6-13(9)15-2/h3-8H,1-2H3
InChIKeyOFCRTJQAELFDEB-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.97
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

tert-butyl (6-formyl-1-methylnaphthalen-2-yl) carbonate
CID 176847919
2,6-dimethoxy-1-methylnaphthalene
CID 68950467
1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone
CID 20641233
4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde
CID 58610952
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
naphthalene-2,6-dicarbaldehyde
CID 159038637
(E)-3-(5-formyl-6-methoxynaphthalen-2-yl)prop-2-enoic acid
CID 155369741
ethane;3-hydroxy-4-methoxybenzaldehyde
CID 145493378
carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium
CID 158784293
4-methoxy-3-(4-methylphenyl)benzaldehyde
CID 82038833
CID 167405011
CID 167405011

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methylnaphthalene-2-carbaldehyde?
The IUPAC name of 6-methoxy-5-methylnaphthalene-2-carbaldehyde (CID 58518906) is 6-methoxy-5-methylnaphthalene-2-carbaldehyde.
What is the SMILES notation for 6-methoxy-5-methylnaphthalene-2-carbaldehyde?
The canonical SMILES for 6-methoxy-5-methylnaphthalene-2-carbaldehyde is COc1ccc2cc(C=O)ccc2c1C.
What is the InChIKey of 6-methoxy-5-methylnaphthalene-2-carbaldehyde?
The InChIKey is OFCRTJQAELFDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-9-12-5-3-10(8-14)7-11(12)4-6-13(9)15-2/h3-8H,1-2H3.
What are the key properties of 6-methoxy-5-methylnaphthalene-2-carbaldehyde?
6-methoxy-5-methylnaphthalene-2-carbaldehyde has a molecular weight of 200.24 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methylnaphthalene-2-carbaldehyde is sourced from PubChem (CID 58518906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).