2-(8-hydroxynaphthalen-1-yl)-2-methylpropanal

C14H14O2 — CID 105467577

IUPAC2-(8-hydroxynaphthalen-1-yl)-2-methylpropanal
SMILESCC(C)(C=O)c1cccc2cccc(O)c12
InChIInChI=1S/C14H14O2/c1-14(2,9-15)11-7-3-5-10-6-4-8-12(16)13(10)11/h3-9,16H,1-2H3
InChIKeyGXLSMNNHNHMIPQ-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.02
Rot. Bonds2

About 2-(8-hydroxynaphthalen-1-yl)-2-methylpropanal

2-(8-hydroxynaphthalen-1-yl)-2-methylpropanal (PubChem CID 105467577) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(8-hydroxynaphthalen-1-yl)-2-methylpropanal.

Molecular Properties

Compound Name2-(8-hydroxynaphthalen-1-yl)-2-methylpropanal
PubChem CID105467577
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name2-(8-hydroxynaphthalen-1-yl)-2-methylpropanal
SMILESCC(C)(C=O)c1cccc2cccc(O)c12
InChIInChI=1S/C14H14O2/c1-14(2,9-15)11-7-3-5-10-6-4-8-12(16)13(10)11/h3-9,16H,1-2H3
InChIKeyGXLSMNNHNHMIPQ-UHFFFAOYSA-N
XLogP3.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(8-hydroxynaphthalen-1-yl)-2-methylpropanal?
The IUPAC name of 2-(8-hydroxynaphthalen-1-yl)-2-methylpropanal (CID 105467577) is 2-(8-hydroxynaphthalen-1-yl)-2-methylpropanal.
What is the SMILES notation for 2-(8-hydroxynaphthalen-1-yl)-2-methylpropanal?
The canonical SMILES for 2-(8-hydroxynaphthalen-1-yl)-2-methylpropanal is CC(C)(C=O)c1cccc2cccc(O)c12.
What is the InChIKey of 2-(8-hydroxynaphthalen-1-yl)-2-methylpropanal?
The InChIKey is GXLSMNNHNHMIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-14(2,9-15)11-7-3-5-10-6-4-8-12(16)13(10)11/h3-9,16H,1-2H3.
What are the key properties of 2-(8-hydroxynaphthalen-1-yl)-2-methylpropanal?
2-(8-hydroxynaphthalen-1-yl)-2-methylpropanal has a molecular weight of 214.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-hydroxynaphthalen-1-yl)-2-methylpropanal is sourced from PubChem (CID 105467577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).