2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde

C14H14O3 — CID 60884344

IUPAC2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde
SMILESCC(O)COc1ccc2ccccc2c1C=O
InChIInChI=1S/C14H14O3/c1-10(16)9-17-14-7-6-11-4-2-3-5-12(11)13(14)8-15/h2-8,10,16H,9H2,1H3
InChIKeyVUILMGQDNLWWEE-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.41
Rot. Bonds4

About 2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde

2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde (PubChem CID 60884344) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde
PubChem CID60884344
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde
SMILESCC(O)COc1ccc2ccccc2c1C=O
InChIInChI=1S/C14H14O3/c1-10(16)9-17-14-7-6-11-4-2-3-5-12(11)13(14)8-15/h2-8,10,16H,9H2,1H3
InChIKeyVUILMGQDNLWWEE-UHFFFAOYSA-N
XLogP2.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde
CID 4737132
2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde
CID 10823964
1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol
CID 60888861
2-heptoxynaphthalene-1-carbaldehyde
CID 43505602
(1-formylnaphthalen-2-yl) acetate
CID 2063426
2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde
CID 62228685
2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide
CID 51140286
2-(3-methylsulfanylpropoxy)naphthalene-1-carbaldehyde
CID 115659116
4-(1-formylnaphthalen-2-yl)oxybutanenitrile
CID 43389591
3-(1-formylnaphthalen-2-yl)oxy-N-methylpropanamide
CID 62326134
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylphenyl)acetamide
CID 7763468
2-(trideuteriomethoxy)naphthalene-1-carbaldehyde
CID 163342997

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde?
The IUPAC name of 2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde (CID 60884344) is 2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde is CC(O)COc1ccc2ccccc2c1C=O.
What is the InChIKey of 2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde?
The InChIKey is VUILMGQDNLWWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-10(16)9-17-14-7-6-11-4-2-3-5-12(11)13(14)8-15/h2-8,10,16H,9H2,1H3.
What are the key properties of 2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde?
2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde has a molecular weight of 230.26 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde is sourced from PubChem (CID 60884344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).