2-hydroxy-3-(hydroxymethyl)naphthalene-1-carbaldehyde

C12H10O3 — CID 10584242

IUPAC2-hydroxy-3-(hydroxymethyl)naphthalene-1-carbaldehyde
SMILESO=Cc1c(O)c(CO)cc2ccccc12
InChIInChI=1S/C12H10O3/c13-6-9-5-8-3-1-2-4-10(8)11(7-14)12(9)15/h1-5,7,13,15H,6H2
InChIKeyNGYLZOMPNDTPQS-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.85
Rot. Bonds2

About 2-hydroxy-3-(hydroxymethyl)naphthalene-1-carbaldehyde

2-hydroxy-3-(hydroxymethyl)naphthalene-1-carbaldehyde (PubChem CID 10584242) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-hydroxy-3-(hydroxymethyl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-(hydroxymethyl)naphthalene-1-carbaldehyde
PubChem CID10584242
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name2-hydroxy-3-(hydroxymethyl)naphthalene-1-carbaldehyde
SMILESO=Cc1c(O)c(CO)cc2ccccc12
InChIInChI=1S/C12H10O3/c13-6-9-5-8-3-1-2-4-10(8)11(7-14)12(9)15/h1-5,7,13,15H,6H2
InChIKeyNGYLZOMPNDTPQS-UHFFFAOYSA-N
XLogP1.85
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethenyl-3-ethylnaphthalen-1-ol
CID 91051523
(4-formyl-3-hydroxynaphthalen-2-yl) hydrogen carbonate
CID 88726898
3-hydroxy-2-methylnaphthalene-1-carbaldehyde
CID 22259589
4-formyl-3-hydroxy-N-methylnaphthalene-2-carboxamide
CID 54318680
2-chloro-3-(2-chloroethyl)naphthalene-1-carbaldehyde
CID 25136411
(2-ethenyl-3-ethylnaphthalen-1-yl)methanol
CID 143952474
2,4-dihydroxyphenanthrene-3-carbaldehyde
CID 102282696
2,3,4-trihydroxynaphthalene-1-carbaldehyde
CID 19689107
ethane;2-ethylnaphthalene-1-carbaldehyde
CID 91261169
2-(2,4-dihydroxyphenyl)naphthalene-1-carbaldehyde
CID 87762112
azane;1-formylnaphthalene-2-sulfonic acid
CID 173322674
2,6-bis(hydroxymethyl)benzaldehyde
CID 87930844

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(hydroxymethyl)naphthalene-1-carbaldehyde?
The IUPAC name of 2-hydroxy-3-(hydroxymethyl)naphthalene-1-carbaldehyde (CID 10584242) is 2-hydroxy-3-(hydroxymethyl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-hydroxy-3-(hydroxymethyl)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-hydroxy-3-(hydroxymethyl)naphthalene-1-carbaldehyde is O=Cc1c(O)c(CO)cc2ccccc12.
What is the InChIKey of 2-hydroxy-3-(hydroxymethyl)naphthalene-1-carbaldehyde?
The InChIKey is NGYLZOMPNDTPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c13-6-9-5-8-3-1-2-4-10(8)11(7-14)12(9)15/h1-5,7,13,15H,6H2.
What are the key properties of 2-hydroxy-3-(hydroxymethyl)naphthalene-1-carbaldehyde?
2-hydroxy-3-(hydroxymethyl)naphthalene-1-carbaldehyde has a molecular weight of 202.21 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(hydroxymethyl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 10584242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).