2-(5-phenylpentyl)naphthalene-1-carbaldehyde

C22H22O — CID 54567845

IUPAC2-(5-phenylpentyl)naphthalene-1-carbaldehyde
SMILESO=Cc1c(CCCCCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C22H22O/c23-17-22-20(16-15-19-13-7-8-14-21(19)22)12-6-2-5-11-18-9-3-1-4-10-18/h1,3-4,7-10,13-17H,2,5-6,11-12H2
InChIKeyZVCMPJZCBXUBIH-UHFFFAOYSA-N
MW302.42 g/mol
LogP5.61
Rot. Bonds7

About 2-(5-phenylpentyl)naphthalene-1-carbaldehyde

2-(5-phenylpentyl)naphthalene-1-carbaldehyde (PubChem CID 54567845) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(5-phenylpentyl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-(5-phenylpentyl)naphthalene-1-carbaldehyde
PubChem CID54567845
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name2-(5-phenylpentyl)naphthalene-1-carbaldehyde
SMILESO=Cc1c(CCCCCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C22H22O/c23-17-22-20(16-15-19-13-7-8-14-21(19)22)12-6-2-5-11-18-9-3-1-4-10-18/h1,3-4,7-10,13-17H,2,5-6,11-12H2
InChIKeyZVCMPJZCBXUBIH-UHFFFAOYSA-N
XLogP5.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hexadecylnaphthalene-1-carbaldehyde
CID 141208229
ethane;2-ethylnaphthalene-1-carbaldehyde
CID 91261169
2-(2-phenylethoxy)naphthalene-1-carbaldehyde
CID 22687262
[7-(5-phenylpentyl)naphthalen-1-yl]methanol
CID 54267141
2-benzylsulfanylnaphthalene-1-carbaldehyde
CID 19007635
4-phenylbutylbenzene
CID 141301927
formamide;hexadecylbenzene;propane
CID 162756092
2-hexyl-1-propylnaphthalene
CID 173300538
2-chloronaphthalene-1-carbaldehyde
CID 19065818
2-amino-5-[3-(1-formylnaphthalen-2-yl)propyl]-4-methylthiophene-3-carbonitrile
CID 166746326
3-hexyl-6-(2-phenylphenyl)phthalaldehyde
CID 154432223
2-(chloromethyl)naphthalene-1-carbaldehyde;quinolin-1-ium;chloride
CID 23358540

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylpentyl)naphthalene-1-carbaldehyde?
The IUPAC name of 2-(5-phenylpentyl)naphthalene-1-carbaldehyde (CID 54567845) is 2-(5-phenylpentyl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-(5-phenylpentyl)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-(5-phenylpentyl)naphthalene-1-carbaldehyde is O=Cc1c(CCCCCc2ccccc2)ccc2ccccc12.
What is the InChIKey of 2-(5-phenylpentyl)naphthalene-1-carbaldehyde?
The InChIKey is ZVCMPJZCBXUBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O/c23-17-22-20(16-15-19-13-7-8-14-21(19)22)12-6-2-5-11-18-9-3-1-4-10-18/h1,3-4,7-10,13-17H,2,5-6,11-12H2.
What are the key properties of 2-(5-phenylpentyl)naphthalene-1-carbaldehyde?
2-(5-phenylpentyl)naphthalene-1-carbaldehyde has a molecular weight of 302.42 g/mol, XLogP of 5.61, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylpentyl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 54567845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).