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

C16H18O3 — CID 62228685

IUPAC2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde
SMILESO=Cc1c(OCCCCCO)ccc2ccccc12
InChIInChI=1S/C16H18O3/c17-10-4-1-5-11-19-16-9-8-13-6-2-3-7-14(13)15(16)12-18/h2-3,6-9,12,17H,1,4-5,10-11H2
InChIKeyOUSWHMYGOPHUBZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.19
Rot. Bonds7

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

2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde (PubChem CID 62228685) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde
PubChem CID62228685
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde
SMILESO=Cc1c(OCCCCCO)ccc2ccccc12
InChIInChI=1S/C16H18O3/c17-10-4-1-5-11-19-16-9-8-13-6-2-3-7-14(13)15(16)12-18/h2-3,6-9,12,17H,1,4-5,10-11H2
InChIKeyOUSWHMYGOPHUBZ-UHFFFAOYSA-N
XLogP3.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-heptoxynaphthalene-1-carbaldehyde
CID 43505602
6-(1-formylnaphthalen-2-yl)oxyhexyl prop-2-enoate
CID 20798470
ethyl 6-(1-formylnaphthalen-2-yl)oxyhexanoate
CID 86662491
2-(3-methylsulfanylpropoxy)naphthalene-1-carbaldehyde
CID 115659116
4-(1-formylnaphthalen-2-yl)oxybutanenitrile
CID 43389591
2-(2-phenylethoxy)naphthalene-1-carbaldehyde
CID 22687262
2-[2-(2-phenylphenoxy)ethoxy]naphthalene-1-carbaldehyde
CID 22687128
3-(1-formylnaphthalen-2-yl)oxy-N-methylpropanamide
CID 62326134
2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde
CID 4737132
2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde
CID 10823964
2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde
CID 60884344
2-(2-cyclohexylethoxy)naphthalene-1-carbaldehyde
CID 54794930

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde?
The IUPAC name of 2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde (CID 62228685) is 2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde is O=Cc1c(OCCCCCO)ccc2ccccc12.
What is the InChIKey of 2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde?
The InChIKey is OUSWHMYGOPHUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c17-10-4-1-5-11-19-16-9-8-13-6-2-3-7-14(13)15(16)12-18/h2-3,6-9,12,17H,1,4-5,10-11H2.
What are the key properties of 2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde?
2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde has a molecular weight of 258.32 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde is sourced from PubChem (CID 62228685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).