3-hydroxy-2-methylnaphthalene-1-carbaldehyde

C12H10O2 — CID 22259589

IUPAC3-hydroxy-2-methylnaphthalene-1-carbaldehyde
SMILESCc1c(O)cc2ccccc2c1C=O
InChIInChI=1S/C12H10O2/c1-8-11(7-13)10-5-3-2-4-9(10)6-12(8)14/h2-7,14H,1H3
InChIKeyKJLPCJGCPODQJZ-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.67
Rot. Bonds1

About 3-hydroxy-2-methylnaphthalene-1-carbaldehyde

3-hydroxy-2-methylnaphthalene-1-carbaldehyde (PubChem CID 22259589) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-hydroxy-2-methylnaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name3-hydroxy-2-methylnaphthalene-1-carbaldehyde
PubChem CID22259589
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name3-hydroxy-2-methylnaphthalene-1-carbaldehyde
SMILESCc1c(O)cc2ccccc2c1C=O
InChIInChI=1S/C12H10O2/c1-8-11(7-13)10-5-3-2-4-9(10)6-12(8)14/h2-7,14H,1H3
InChIKeyKJLPCJGCPODQJZ-UHFFFAOYSA-N
XLogP2.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-2-methylnaphthalene-1-carbaldehyde
CID 141170749
2-hydroxy-3-(hydroxymethyl)naphthalene-1-carbaldehyde
CID 10584242
2,4-dihydroxyphenanthrene-3-carbaldehyde
CID 102282696
4-formyl-3-hydroxy-N-methylnaphthalene-2-carboxamide
CID 54318680
2-methylnaphthalene-1-carbaldehyde;sulfane
CID 157328712
4-hydroxynaphthalene-2-carbaldehyde
CID 22498210
2-(2,4-dihydroxyphenyl)naphthalene-1-carbaldehyde
CID 87762112
2-(2-anthracen-9-ylethynyl)-6-hydroxybenzaldehyde
CID 101156959
(4-formyl-3-hydroxynaphthalen-2-yl) hydrogen carbonate
CID 88726898
2-(1,3-dimethylnaphthalen-2-yl)-3-methoxynaphthalene-1-carbaldehyde
CID 101108881
1-[(3,5-diamino-4-methylphenyl)iminomethyl]naphthalen-2-ol;2-hydroxynaphthalene-1-carbaldehyde;2-methylbenzene-1,3,5-triamine
CID 159705468
5-[(4-formyl-3-hydroxynaphthalen-2-yl)diazenyl]-2-methylbenzenesulfonamide
CID 162653532

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methylnaphthalene-1-carbaldehyde?
The IUPAC name of 3-hydroxy-2-methylnaphthalene-1-carbaldehyde (CID 22259589) is 3-hydroxy-2-methylnaphthalene-1-carbaldehyde.
What is the SMILES notation for 3-hydroxy-2-methylnaphthalene-1-carbaldehyde?
The canonical SMILES for 3-hydroxy-2-methylnaphthalene-1-carbaldehyde is Cc1c(O)cc2ccccc2c1C=O.
What is the InChIKey of 3-hydroxy-2-methylnaphthalene-1-carbaldehyde?
The InChIKey is KJLPCJGCPODQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2/c1-8-11(7-13)10-5-3-2-4-9(10)6-12(8)14/h2-7,14H,1H3.
What are the key properties of 3-hydroxy-2-methylnaphthalene-1-carbaldehyde?
3-hydroxy-2-methylnaphthalene-1-carbaldehyde has a molecular weight of 186.21 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methylnaphthalene-1-carbaldehyde is sourced from PubChem (CID 22259589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).