3-(3-hydroxyphenoxy)propanal

C9H10O3 — CID 84765037

IUPAC3-(3-hydroxyphenoxy)propanal
SMILESO=CCCOc1cccc(O)c1
InChIInChI=1S/C9H10O3/c10-5-2-6-12-9-4-1-3-8(11)7-9/h1,3-5,7,11H,2,6H2
InChIKeyRCOVKTSGSLCUKK-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.36
Rot. Bonds4

About 3-(3-hydroxyphenoxy)propanal

3-(3-hydroxyphenoxy)propanal (PubChem CID 84765037) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-(3-hydroxyphenoxy)propanal.

Molecular Properties

Compound Name3-(3-hydroxyphenoxy)propanal
PubChem CID84765037
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name3-(3-hydroxyphenoxy)propanal
SMILESO=CCCOc1cccc(O)c1
InChIInChI=1S/C9H10O3/c10-5-2-6-12-9-4-1-3-8(11)7-9/h1,3-5,7,11H,2,6H2
InChIKeyRCOVKTSGSLCUKK-UHFFFAOYSA-N
XLogP1.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.36
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

3-(3-oxopropoxy)benzaldehyde
CID 63040628
3-(3-chlorophenoxy)propanal
CID 63040616
3-(4-ethylhex-3-enoxy)phenol
CID 15329857
formic acid;3-hexoxyphenol
CID 174800460
3-[2-(methylamino)ethoxy]phenol
CID 83619980
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
3-(2-ethylsulfonylethoxy)phenol
CID 43808006
2-(3-hydroxyphenoxy)ethyl prop-2-enoate
CID 57126182
3-dodecoxyphenol
CID 15719132
3-butoxybenzaldehyde;3-hydroxybenzaldehyde
CID 157058924
3-(3-ethylsulfonylpropoxy)phenol
CID 65097968
3-[2-(2,6-dimethylphenoxy)ethoxy]phenol
CID 39359626

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenoxy)propanal?
The IUPAC name of 3-(3-hydroxyphenoxy)propanal (CID 84765037) is 3-(3-hydroxyphenoxy)propanal.
What is the SMILES notation for 3-(3-hydroxyphenoxy)propanal?
The canonical SMILES for 3-(3-hydroxyphenoxy)propanal is O=CCCOc1cccc(O)c1.
What is the InChIKey of 3-(3-hydroxyphenoxy)propanal?
The InChIKey is RCOVKTSGSLCUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c10-5-2-6-12-9-4-1-3-8(11)7-9/h1,3-5,7,11H,2,6H2.
What are the key properties of 3-(3-hydroxyphenoxy)propanal?
3-(3-hydroxyphenoxy)propanal has a molecular weight of 166.18 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenoxy)propanal is sourced from PubChem (CID 84765037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).