4-hydroxy-6,7-dimethoxy-8-methylnaphthalene-2-carbaldehyde

C14H14O4 — CID 89007750

IUPAC4-hydroxy-6,7-dimethoxy-8-methylnaphthalene-2-carbaldehyde
SMILESCOc1cc2c(O)cc(C=O)cc2c(C)c1OC
InChIInChI=1S/C14H14O4/c1-8-10-4-9(7-15)5-12(16)11(10)6-13(17-2)14(8)18-3/h4-7,16H,1-3H3
InChIKeyLUDQCOYCONIXKM-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.68
Rot. Bonds3

About 4-hydroxy-6,7-dimethoxy-8-methylnaphthalene-2-carbaldehyde

4-hydroxy-6,7-dimethoxy-8-methylnaphthalene-2-carbaldehyde (PubChem CID 89007750) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 4-hydroxy-6,7-dimethoxy-8-methylnaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name4-hydroxy-6,7-dimethoxy-8-methylnaphthalene-2-carbaldehyde
PubChem CID89007750
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name4-hydroxy-6,7-dimethoxy-8-methylnaphthalene-2-carbaldehyde
SMILESCOc1cc2c(O)cc(C=O)cc2c(C)c1OC
InChIInChI=1S/C14H14O4/c1-8-10-4-9(7-15)5-12(16)11(10)6-13(17-2)14(8)18-3/h4-7,16H,1-3H3
InChIKeyLUDQCOYCONIXKM-UHFFFAOYSA-N
XLogP2.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 69302242
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
2,3,5-trimethoxy-7-methyl-6-(1,6,7-trimethoxy-3,5-dimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde
CID 123872830
CID 130345281
CID 130345281
ethane;3-hydroxy-4-methoxybenzaldehyde
CID 145493378
2,5-dimethoxy-3,4-dimethylphenol
CID 84658444
3-ethyl-4,5-dimethoxybenzaldehyde
CID 88965998
2,4-dihydroxy-3,6-dimethoxybenzaldehyde
CID 71365717
2,3,6,7-tetramethoxy-1-methylnaphthalene
CID 163473055
3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde
CID 45257691
N-[(E)-(3-hydroxy-4,5-dimethoxyphenyl)methylideneamino]formamide
CID 134315856

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6,7-dimethoxy-8-methylnaphthalene-2-carbaldehyde?
The IUPAC name of 4-hydroxy-6,7-dimethoxy-8-methylnaphthalene-2-carbaldehyde (CID 89007750) is 4-hydroxy-6,7-dimethoxy-8-methylnaphthalene-2-carbaldehyde.
What is the SMILES notation for 4-hydroxy-6,7-dimethoxy-8-methylnaphthalene-2-carbaldehyde?
The canonical SMILES for 4-hydroxy-6,7-dimethoxy-8-methylnaphthalene-2-carbaldehyde is COc1cc2c(O)cc(C=O)cc2c(C)c1OC.
What is the InChIKey of 4-hydroxy-6,7-dimethoxy-8-methylnaphthalene-2-carbaldehyde?
The InChIKey is LUDQCOYCONIXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-8-10-4-9(7-15)5-12(16)11(10)6-13(17-2)14(8)18-3/h4-7,16H,1-3H3.
What are the key properties of 4-hydroxy-6,7-dimethoxy-8-methylnaphthalene-2-carbaldehyde?
4-hydroxy-6,7-dimethoxy-8-methylnaphthalene-2-carbaldehyde has a molecular weight of 246.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6,7-dimethoxy-8-methylnaphthalene-2-carbaldehyde is sourced from PubChem (CID 89007750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).