5-(3-hydroxypropoxy)-2-nitrosobenzaldehyde

C10H11NO4 — CID 89174165

IUPAC5-(3-hydroxypropoxy)-2-nitrosobenzaldehyde
SMILESO=Cc1cc(OCCCO)ccc1N=O
InChIInChI=1S/C10H11NO4/c12-4-1-5-15-9-2-3-10(11-14)8(6-9)7-13/h2-3,6-7,12H,1,4-5H2
InChIKeyRSRAEERBPNZWRS-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.66
Rot. Bonds6

About 5-(3-hydroxypropoxy)-2-nitrosobenzaldehyde

5-(3-hydroxypropoxy)-2-nitrosobenzaldehyde (PubChem CID 89174165) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 5-(3-hydroxypropoxy)-2-nitrosobenzaldehyde.

Molecular Properties

Compound Name5-(3-hydroxypropoxy)-2-nitrosobenzaldehyde
PubChem CID89174165
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name5-(3-hydroxypropoxy)-2-nitrosobenzaldehyde
SMILESO=Cc1cc(OCCCO)ccc1N=O
InChIInChI=1S/C10H11NO4/c12-4-1-5-15-9-2-3-10(11-14)8(6-9)7-13/h2-3,6-7,12H,1,4-5H2
InChIKeyRSRAEERBPNZWRS-UHFFFAOYSA-N
XLogP1.66
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-hydroxy-4-(3-hydroxypropoxy)benzaldehyde
CID 86617706
5-(6-hydroxyhexoxy)-2-prop-1-enylbenzaldehyde
CID 91183651
ethyl 4-(4-formyl-3-nitrosophenoxy)butanoate
CID 130434963
3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol
CID 118363614
4-butoxy-2-ethylbenzaldehyde
CID 89039391
4-(16-hydroxyhexadecoxy)benzaldehyde
CID 22987553
4-(6-hydroxyhexoxy)benzaldehyde
CID 15051082
4-(4-bromo-3-formylphenoxy)butanoic acid
CID 19921916
2-azido-5-phenylmethoxybenzaldehyde
CID 150841101
2-hydroxy-5-undec-10-enoxybenzaldehyde
CID 21260819
2-(5-hydroxypentoxy)-4-methoxybenzaldehyde
CID 55053388
11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol
CID 86182037

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypropoxy)-2-nitrosobenzaldehyde?
The IUPAC name of 5-(3-hydroxypropoxy)-2-nitrosobenzaldehyde (CID 89174165) is 5-(3-hydroxypropoxy)-2-nitrosobenzaldehyde.
What is the SMILES notation for 5-(3-hydroxypropoxy)-2-nitrosobenzaldehyde?
The canonical SMILES for 5-(3-hydroxypropoxy)-2-nitrosobenzaldehyde is O=Cc1cc(OCCCO)ccc1N=O.
What is the InChIKey of 5-(3-hydroxypropoxy)-2-nitrosobenzaldehyde?
The InChIKey is RSRAEERBPNZWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c12-4-1-5-15-9-2-3-10(11-14)8(6-9)7-13/h2-3,6-7,12H,1,4-5H2.
What are the key properties of 5-(3-hydroxypropoxy)-2-nitrosobenzaldehyde?
5-(3-hydroxypropoxy)-2-nitrosobenzaldehyde has a molecular weight of 209.20 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropoxy)-2-nitrosobenzaldehyde is sourced from PubChem (CID 89174165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).