2-hydroxy-4-(3-hydroxypropoxy)benzaldehyde

C10H12O4 — CID 86617706

IUPAC2-hydroxy-4-(3-hydroxypropoxy)benzaldehyde
SMILESO=Cc1ccc(OCCCO)cc1O
InChIInChI=1S/C10H12O4/c11-4-1-5-14-9-3-2-8(7-12)10(13)6-9/h2-3,6-7,11,13H,1,4-5H2
InChIKeyIMIWKROLLSKUPM-UHFFFAOYSA-N
MW196.20 g/mol
LogP0.97
Rot. Bonds5

About 2-hydroxy-4-(3-hydroxypropoxy)benzaldehyde

2-hydroxy-4-(3-hydroxypropoxy)benzaldehyde (PubChem CID 86617706) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-hydroxy-4-(3-hydroxypropoxy)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-4-(3-hydroxypropoxy)benzaldehyde
PubChem CID86617706
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2-hydroxy-4-(3-hydroxypropoxy)benzaldehyde
SMILESO=Cc1ccc(OCCCO)cc1O
InChIInChI=1S/C10H12O4/c11-4-1-5-14-9-3-2-8(7-12)10(13)6-9/h2-3,6-7,11,13H,1,4-5H2
InChIKeyIMIWKROLLSKUPM-UHFFFAOYSA-N
XLogP0.97
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-hexoxy-2-hydroxybenzaldehyde
CID 13147236
4-(4-formyl-3-hydroxyphenoxy)-N-methylbutanamide
CID 142179795
ethyl 4-(4-formyl-3-hydroxyphenoxy)butanoate
CID 19603738
4-(2-dodecoxyethoxy)-2-hydroxybenzaldehyde
CID 10291540
5-(3-hydroxypropoxy)-2-nitrosobenzaldehyde
CID 89174165
5-(6-hydroxyhexoxy)-2-prop-1-enylbenzaldehyde
CID 91183651
4-[(4-formyl-3-hydroxyphenoxy)methyl]benzoic acid;yttrium
CID 18723919
2-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde
CID 10537643
(4-formyl-3-hydroxyphenyl) 4-pentoxybenzoate
CID 71420117
[2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone
CID 10945581
ethyl 2-(4-formyl-3-hydroxyphenoxy)acetate
CID 13400689
(4-formyl-3-hydroxyphenyl) 4-octoxybenzoate
CID 14416252

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(3-hydroxypropoxy)benzaldehyde?
The IUPAC name of 2-hydroxy-4-(3-hydroxypropoxy)benzaldehyde (CID 86617706) is 2-hydroxy-4-(3-hydroxypropoxy)benzaldehyde.
What is the SMILES notation for 2-hydroxy-4-(3-hydroxypropoxy)benzaldehyde?
The canonical SMILES for 2-hydroxy-4-(3-hydroxypropoxy)benzaldehyde is O=Cc1ccc(OCCCO)cc1O.
What is the InChIKey of 2-hydroxy-4-(3-hydroxypropoxy)benzaldehyde?
The InChIKey is IMIWKROLLSKUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c11-4-1-5-14-9-3-2-8(7-12)10(13)6-9/h2-3,6-7,11,13H,1,4-5H2.
What are the key properties of 2-hydroxy-4-(3-hydroxypropoxy)benzaldehyde?
2-hydroxy-4-(3-hydroxypropoxy)benzaldehyde has a molecular weight of 196.20 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(3-hydroxypropoxy)benzaldehyde is sourced from PubChem (CID 86617706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).