3-hydroxy-6-methoxynaphthalene-2-carbaldehyde

C12H10O3 — CID 130034455

IUPAC3-hydroxy-6-methoxynaphthalene-2-carbaldehyde
SMILESCOc1ccc2cc(C=O)c(O)cc2c1
InChIInChI=1S/C12H10O3/c1-15-11-3-2-8-4-10(7-13)12(14)6-9(8)5-11/h2-7,14H,1H3
InChIKeyFLUROYKJIFUHOK-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.37
Rot. Bonds2

About 3-hydroxy-6-methoxynaphthalene-2-carbaldehyde

3-hydroxy-6-methoxynaphthalene-2-carbaldehyde (PubChem CID 130034455) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-hydroxy-6-methoxynaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name3-hydroxy-6-methoxynaphthalene-2-carbaldehyde
PubChem CID130034455
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name3-hydroxy-6-methoxynaphthalene-2-carbaldehyde
SMILESCOc1ccc2cc(C=O)c(O)cc2c1
InChIInChI=1S/C12H10O3/c1-15-11-3-2-8-4-10(7-13)12(14)6-9(8)5-11/h2-7,14H,1H3
InChIKeyFLUROYKJIFUHOK-UHFFFAOYSA-N
XLogP2.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzaldehyde
CID 15189859
6-(dimethylamino)-3-hydroxynaphthalene-2-carbaldehyde
CID 72547952
5-methoxy-2-[(E)-prop-1-enyl]phenol
CID 18539717
5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde
CID 53220437
ethane;6-methoxy-3-propan-2-ylnaphthalen-2-ol
CID 143419787
7-methoxy-2-oxochromene-3-carbaldehyde
CID 10420437
(2-formyl-5-methoxyphenyl)-methylborinic acid
CID 58916121
4-(3,5-dimethoxyphenyl)-2-hydroxybenzaldehyde
CID 53220512
2-hydroperoxy-7-methoxynaphthalene
CID 142950271
2,5-dihydroxy-4-methoxybenzaldehyde;6-hydroxy-7-methoxychromen-2-one
CID 160954791
1,2-difluoro-7-methoxyphenanthrene-3-carbaldehyde
CID 167713797
6-methoxy-2-(trifluoromethyl)quinoline-3-carbaldehyde
CID 88861626

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methoxynaphthalene-2-carbaldehyde?
The IUPAC name of 3-hydroxy-6-methoxynaphthalene-2-carbaldehyde (CID 130034455) is 3-hydroxy-6-methoxynaphthalene-2-carbaldehyde.
What is the SMILES notation for 3-hydroxy-6-methoxynaphthalene-2-carbaldehyde?
The canonical SMILES for 3-hydroxy-6-methoxynaphthalene-2-carbaldehyde is COc1ccc2cc(C=O)c(O)cc2c1.
What is the InChIKey of 3-hydroxy-6-methoxynaphthalene-2-carbaldehyde?
The InChIKey is FLUROYKJIFUHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-15-11-3-2-8-4-10(7-13)12(14)6-9(8)5-11/h2-7,14H,1H3.
What are the key properties of 3-hydroxy-6-methoxynaphthalene-2-carbaldehyde?
3-hydroxy-6-methoxynaphthalene-2-carbaldehyde has a molecular weight of 202.21 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methoxynaphthalene-2-carbaldehyde is sourced from PubChem (CID 130034455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).