2-[4-(3-hydroxypropyl)naphthalen-1-yl]acetaldehyde

C15H16O2 — CID 153490793

IUPAC2-[4-(3-hydroxypropyl)naphthalen-1-yl]acetaldehyde
SMILESO=CCc1ccc(CCCO)c2ccccc12
InChIInChI=1S/C15H16O2/c16-10-3-4-12-7-8-13(9-11-17)15-6-2-1-5-14(12)15/h1-2,5-8,11,16H,3-4,9-10H2
InChIKeyCYCOPWWHJHTZIP-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.51
Rot. Bonds5

About 2-[4-(3-hydroxypropyl)naphthalen-1-yl]acetaldehyde

2-[4-(3-hydroxypropyl)naphthalen-1-yl]acetaldehyde (PubChem CID 153490793) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[4-(3-hydroxypropyl)naphthalen-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(3-hydroxypropyl)naphthalen-1-yl]acetaldehyde
PubChem CID153490793
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name2-[4-(3-hydroxypropyl)naphthalen-1-yl]acetaldehyde
SMILESO=CCc1ccc(CCCO)c2ccccc12
InChIInChI=1S/C15H16O2/c16-10-3-4-12-7-8-13(9-11-17)15-6-2-1-5-14(12)15/h1-2,5-8,11,16H,3-4,9-10H2
InChIKeyCYCOPWWHJHTZIP-UHFFFAOYSA-N
XLogP2.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.51
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-[4-(3-hydroxypropyl)naphthalen-1-yl]acetaldehyde?
The IUPAC name of 2-[4-(3-hydroxypropyl)naphthalen-1-yl]acetaldehyde (CID 153490793) is 2-[4-(3-hydroxypropyl)naphthalen-1-yl]acetaldehyde.
What is the SMILES notation for 2-[4-(3-hydroxypropyl)naphthalen-1-yl]acetaldehyde?
The canonical SMILES for 2-[4-(3-hydroxypropyl)naphthalen-1-yl]acetaldehyde is O=CCc1ccc(CCCO)c2ccccc12.
What is the InChIKey of 2-[4-(3-hydroxypropyl)naphthalen-1-yl]acetaldehyde?
The InChIKey is CYCOPWWHJHTZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c16-10-3-4-12-7-8-13(9-11-17)15-6-2-1-5-14(12)15/h1-2,5-8,11,16H,3-4,9-10H2.
What are the key properties of 2-[4-(3-hydroxypropyl)naphthalen-1-yl]acetaldehyde?
2-[4-(3-hydroxypropyl)naphthalen-1-yl]acetaldehyde has a molecular weight of 228.29 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxypropyl)naphthalen-1-yl]acetaldehyde is sourced from PubChem (CID 153490793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).