2-(1,8-dihydroxy-3,6-dimethylnaphthalen-2-yl)acetaldehyde

C14H14O3 — CID 123744942

IUPAC2-(1,8-dihydroxy-3,6-dimethylnaphthalen-2-yl)acetaldehyde
SMILESCc1cc(O)c2c(O)c(CC=O)c(C)cc2c1
InChIInChI=1S/C14H14O3/c1-8-5-10-7-9(2)11(3-4-15)14(17)13(10)12(16)6-8/h4-7,16-17H,3H2,1-2H3
InChIKeyUKPGKYSBRYTLFJ-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.61
Rot. Bonds2

About 2-(1,8-dihydroxy-3,6-dimethylnaphthalen-2-yl)acetaldehyde

2-(1,8-dihydroxy-3,6-dimethylnaphthalen-2-yl)acetaldehyde (PubChem CID 123744942) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(1,8-dihydroxy-3,6-dimethylnaphthalen-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1,8-dihydroxy-3,6-dimethylnaphthalen-2-yl)acetaldehyde
PubChem CID123744942
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name2-(1,8-dihydroxy-3,6-dimethylnaphthalen-2-yl)acetaldehyde
SMILESCc1cc(O)c2c(O)c(CC=O)c(C)cc2c1
InChIInChI=1S/C14H14O3/c1-8-5-10-7-9(2)11(3-4-15)14(17)13(10)12(16)6-8/h4-7,16-17H,3H2,1-2H3
InChIKeyUKPGKYSBRYTLFJ-UHFFFAOYSA-N
XLogP2.61
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1,8-dihydroxy-3,6-dimethylnaphthalen-2-yl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methylanthracene-1,2,4,5,10-pentol
CID 71397460
2-(2-hydroxy-5-methylphenyl)acetaldehyde
CID 23471205
2-(6-hydroxy-2,3-dimethylphenyl)acetaldehyde
CID 54204979
2-[2,5-dihydroxy-4-(2-oxoethyl)phenyl]acetaldehyde
CID 166062863
2-(5-bromo-2-hydroxy-3-methylphenyl)acetaldehyde
CID 83893529
2-(3-ethyl-2,4-dihydroxyphenyl)acetaldehyde
CID 87795646
2-(5-fluoro-2-hydroxy-3-methylphenyl)acetaldehyde
CID 83873729
2-(5,7-dimethyl-1H-indol-2-yl)acetaldehyde
CID 112710892
3-(2-hydroxy-3,4,6-trimethylphenyl)propanal
CID 117117757
2-(2,6-dimethylbenzene-4-id-1-yl)acetaldehyde;yttrium
CID 58226479
2-(5-tert-butyl-4-hydroxy-2-methylphenyl)acetaldehyde
CID 154998394
2-[2,6-dimethyl-4-(4-methylphenyl)sulfanylphenyl]acetaldehyde
CID 87392300

Frequently Asked Questions

What is the IUPAC name of 2-(1,8-dihydroxy-3,6-dimethylnaphthalen-2-yl)acetaldehyde?
The IUPAC name of 2-(1,8-dihydroxy-3,6-dimethylnaphthalen-2-yl)acetaldehyde (CID 123744942) is 2-(1,8-dihydroxy-3,6-dimethylnaphthalen-2-yl)acetaldehyde.
What is the SMILES notation for 2-(1,8-dihydroxy-3,6-dimethylnaphthalen-2-yl)acetaldehyde?
The canonical SMILES for 2-(1,8-dihydroxy-3,6-dimethylnaphthalen-2-yl)acetaldehyde is Cc1cc(O)c2c(O)c(CC=O)c(C)cc2c1.
What is the InChIKey of 2-(1,8-dihydroxy-3,6-dimethylnaphthalen-2-yl)acetaldehyde?
The InChIKey is UKPGKYSBRYTLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-8-5-10-7-9(2)11(3-4-15)14(17)13(10)12(16)6-8/h4-7,16-17H,3H2,1-2H3.
What are the key properties of 2-(1,8-dihydroxy-3,6-dimethylnaphthalen-2-yl)acetaldehyde?
2-(1,8-dihydroxy-3,6-dimethylnaphthalen-2-yl)acetaldehyde has a molecular weight of 230.26 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,8-dihydroxy-3,6-dimethylnaphthalen-2-yl)acetaldehyde is sourced from PubChem (CID 123744942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).