3-hydroxy-5-methoxynaphthalene-1-carbaldehyde

C12H10O3 — CID 142644452

IUPAC3-hydroxy-5-methoxynaphthalene-1-carbaldehyde
SMILESCOc1cccc2c(C=O)cc(O)cc12
InChIInChI=1S/C12H10O3/c1-15-12-4-2-3-10-8(7-13)5-9(14)6-11(10)12/h2-7,14H,1H3
InChIKeyLSHNFWVMOGDJCR-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.37
Rot. Bonds2

About 3-hydroxy-5-methoxynaphthalene-1-carbaldehyde

3-hydroxy-5-methoxynaphthalene-1-carbaldehyde (PubChem CID 142644452) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-hydroxy-5-methoxynaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name3-hydroxy-5-methoxynaphthalene-1-carbaldehyde
PubChem CID142644452
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name3-hydroxy-5-methoxynaphthalene-1-carbaldehyde
SMILESCOc1cccc2c(C=O)cc(O)cc12
InChIInChI=1S/C12H10O3/c1-15-12-4-2-3-10-8(7-13)5-9(14)6-11(10)12/h2-7,14H,1H3
InChIKeyLSHNFWVMOGDJCR-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-3-methoxybenzaldehyde
CID 8991
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
ethene;2-hydroxy-3-methoxybenzaldehyde
CID 175162627
methyl 2-formyl-6-methoxybenzoate
CID 12730360
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
2-(2,6-dimethoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde
CID 22633129
2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde
CID 161122515
(5-methoxynaphthalen-1-yl) formate
CID 11447000
2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589
1,4,9,10-tetramethoxyanthracene-2-carbaldehyde
CID 15089323
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methoxynaphthalene-1-carbaldehyde?
The IUPAC name of 3-hydroxy-5-methoxynaphthalene-1-carbaldehyde (CID 142644452) is 3-hydroxy-5-methoxynaphthalene-1-carbaldehyde.
What is the SMILES notation for 3-hydroxy-5-methoxynaphthalene-1-carbaldehyde?
The canonical SMILES for 3-hydroxy-5-methoxynaphthalene-1-carbaldehyde is COc1cccc2c(C=O)cc(O)cc12.
What is the InChIKey of 3-hydroxy-5-methoxynaphthalene-1-carbaldehyde?
The InChIKey is LSHNFWVMOGDJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-15-12-4-2-3-10-8(7-13)5-9(14)6-11(10)12/h2-7,14H,1H3.
What are the key properties of 3-hydroxy-5-methoxynaphthalene-1-carbaldehyde?
3-hydroxy-5-methoxynaphthalene-1-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-5-methoxynaphthalene-1-carbaldehyde is sourced from PubChem (CID 142644452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).