1-hydroxy-6-methylnaphthalene-2-carbaldehyde

C12H10O2 — CID 90141664

IUPAC1-hydroxy-6-methylnaphthalene-2-carbaldehyde
SMILESCc1ccc2c(O)c(C=O)ccc2c1
InChIInChI=1S/C12H10O2/c1-8-2-5-11-9(6-8)3-4-10(7-13)12(11)14/h2-7,14H,1H3
InChIKeyUNRNGWBQWPZMCD-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.67
Rot. Bonds1

About 1-hydroxy-6-methylnaphthalene-2-carbaldehyde

1-hydroxy-6-methylnaphthalene-2-carbaldehyde (PubChem CID 90141664) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-hydroxy-6-methylnaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name1-hydroxy-6-methylnaphthalene-2-carbaldehyde
PubChem CID90141664
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name1-hydroxy-6-methylnaphthalene-2-carbaldehyde
SMILESCc1ccc2c(O)c(C=O)ccc2c1
InChIInChI=1S/C12H10O2/c1-8-2-5-11-9(6-8)3-4-10(7-13)12(11)14/h2-7,14H,1H3
InChIKeyUNRNGWBQWPZMCD-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

2,6-dimethylnaphthalen-1-ol;1-hydroxy-6-methylnaphthalene-2-carbaldehyde
CID 159879236
5-hydroxy-1,3-dimethylisoquinoline-6-carbaldehyde
CID 84670071
[difluoro-(6-formyl-5-hydroxynaphthalen-2-yl)methyl]phosphonic acid
CID 71419605
2,7-dimethylphenanthrene;ethane
CID 91503011
6-methylnaphthalene-1,2,3-triol
CID 22497955
7-methylnaphthalene-1-carbaldehyde
CID 15657410
2-iodyl-4-methylbenzaldehyde
CID 172555476
2,3,6,7-tetramethylnaphthalen-1-ol;2,3,6-trimethylnaphthalen-1-ol;2,3,7-trimethylnaphthalen-1-ol
CID 158189800
6-methyl-2-[(4-methylphenyl)diazenyl]naphthalen-1-ol
CID 136606671
2,4-dimethylbenzaldehyde;2-hydroxy-4-methylbenzaldehyde;methane
CID 161019797
6-methylnaphthalene-2-carbaldehyde
CID 6452268
CID 143927164
CID 143927164

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-methylnaphthalene-2-carbaldehyde?
The IUPAC name of 1-hydroxy-6-methylnaphthalene-2-carbaldehyde (CID 90141664) is 1-hydroxy-6-methylnaphthalene-2-carbaldehyde.
What is the SMILES notation for 1-hydroxy-6-methylnaphthalene-2-carbaldehyde?
The canonical SMILES for 1-hydroxy-6-methylnaphthalene-2-carbaldehyde is Cc1ccc2c(O)c(C=O)ccc2c1.
What is the InChIKey of 1-hydroxy-6-methylnaphthalene-2-carbaldehyde?
The InChIKey is UNRNGWBQWPZMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2/c1-8-2-5-11-9(6-8)3-4-10(7-13)12(11)14/h2-7,14H,1H3.
What are the key properties of 1-hydroxy-6-methylnaphthalene-2-carbaldehyde?
1-hydroxy-6-methylnaphthalene-2-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 1-hydroxy-6-methylnaphthalene-2-carbaldehyde is sourced from PubChem (CID 90141664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).