4-(1-hydroxy-2-methylpropyl)naphthalene-1-carbaldehyde

C15H16O2 — CID 22999338

IUPAC4-(1-hydroxy-2-methylpropyl)naphthalene-1-carbaldehyde
SMILESCC(C)C(O)c1ccc(C=O)c2ccccc12
InChIInChI=1S/C15H16O2/c1-10(2)15(17)14-8-7-11(9-16)12-5-3-4-6-13(12)14/h3-10,15,17H,1-2H3
InChIKeyPHRJPHKYZDVZSH-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.34
Rot. Bonds3

About 4-(1-hydroxy-2-methylpropyl)naphthalene-1-carbaldehyde

4-(1-hydroxy-2-methylpropyl)naphthalene-1-carbaldehyde (PubChem CID 22999338) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(1-hydroxy-2-methylpropyl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name4-(1-hydroxy-2-methylpropyl)naphthalene-1-carbaldehyde
PubChem CID22999338
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name4-(1-hydroxy-2-methylpropyl)naphthalene-1-carbaldehyde
SMILESCC(C)C(O)c1ccc(C=O)c2ccccc12
InChIInChI=1S/C15H16O2/c1-10(2)15(17)14-8-7-11(9-16)12-5-3-4-6-13(12)14/h3-10,15,17H,1-2H3
InChIKeyPHRJPHKYZDVZSH-UHFFFAOYSA-N
XLogP3.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.34
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 4-(1-hydroxy-2-methylpropyl)naphthalene-1-carbaldehyde?
The IUPAC name of 4-(1-hydroxy-2-methylpropyl)naphthalene-1-carbaldehyde (CID 22999338) is 4-(1-hydroxy-2-methylpropyl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 4-(1-hydroxy-2-methylpropyl)naphthalene-1-carbaldehyde?
The canonical SMILES for 4-(1-hydroxy-2-methylpropyl)naphthalene-1-carbaldehyde is CC(C)C(O)c1ccc(C=O)c2ccccc12.
What is the InChIKey of 4-(1-hydroxy-2-methylpropyl)naphthalene-1-carbaldehyde?
The InChIKey is PHRJPHKYZDVZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-10(2)15(17)14-8-7-11(9-16)12-5-3-4-6-13(12)14/h3-10,15,17H,1-2H3.
What are the key properties of 4-(1-hydroxy-2-methylpropyl)naphthalene-1-carbaldehyde?
4-(1-hydroxy-2-methylpropyl)naphthalene-1-carbaldehyde has a molecular weight of 228.29 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2-methylpropyl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 22999338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).