2-hydroxy-3-methoxy-6-(1,2,3-trihydroxypropyl)benzaldehyde

C11H14O6 — CID 170818456

IUPAC2-hydroxy-3-methoxy-6-(1,2,3-trihydroxypropyl)benzaldehyde
SMILESCOc1ccc(C(O)C(O)CO)c(C=O)c1O
InChIInChI=1S/C11H14O6/c1-17-9-3-2-6(7(4-12)11(9)16)10(15)8(14)5-13/h2-4,8,10,13-16H,5H2,1H3
InChIKeyRQSLNVCBUKIZQR-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.40
Rot. Bonds5

About 2-hydroxy-3-methoxy-6-(1,2,3-trihydroxypropyl)benzaldehyde

2-hydroxy-3-methoxy-6-(1,2,3-trihydroxypropyl)benzaldehyde (PubChem CID 170818456) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-6-(1,2,3-trihydroxypropyl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-6-(1,2,3-trihydroxypropyl)benzaldehyde
PubChem CID170818456
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Name2-hydroxy-3-methoxy-6-(1,2,3-trihydroxypropyl)benzaldehyde
SMILESCOc1ccc(C(O)C(O)CO)c(C=O)c1O
InChIInChI=1S/C11H14O6/c1-17-9-3-2-6(7(4-12)11(9)16)10(15)8(14)5-13/h2-4,8,10,13-16H,5H2,1H3
InChIKeyRQSLNVCBUKIZQR-UHFFFAOYSA-N
XLogP-0.40
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-6-(1,2,3-trihydroxypropyl)benzaldehyde
CID 170817732
5-hydroxy-4-methoxy-2-(1,2,3-trihydroxypropyl)benzaldehyde
CID 170818437
1-(4-methoxynaphthalen-1-yl)propane-1,2,3-triol
CID 170818647
2-hydroxy-6-(3-hydroxyprop-1-enyl)-3-methoxybenzaldehyde
CID 169453822
2-[4-methoxy-3-(1,2,3-trihydroxypropyl)phenyl]acetic acid
CID 170818730
4-methoxy-3-(1,2,3-trihydroxypropyl)benzonitrile
CID 170818330
2-hydroxy-3-methoxy-6-(4-propan-2-ylphenyl)benzaldehyde
CID 59599776
6-(2-ethylphenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 91468164
2-(3-chloro-1,2-dihydroxypropyl)-3-hydroxy-4-methoxybenzaldehyde
CID 171862634
1-(2-methoxy-4-nitrophenyl)propane-1,2,3-triol
CID 170818557
2-hydroxy-3-methoxy-6-naphthalen-2-ylbenzaldehyde
CID 59599735
1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol
CID 170819054

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-6-(1,2,3-trihydroxypropyl)benzaldehyde?
The IUPAC name of 2-hydroxy-3-methoxy-6-(1,2,3-trihydroxypropyl)benzaldehyde (CID 170818456) is 2-hydroxy-3-methoxy-6-(1,2,3-trihydroxypropyl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-3-methoxy-6-(1,2,3-trihydroxypropyl)benzaldehyde?
The canonical SMILES for 2-hydroxy-3-methoxy-6-(1,2,3-trihydroxypropyl)benzaldehyde is COc1ccc(C(O)C(O)CO)c(C=O)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-6-(1,2,3-trihydroxypropyl)benzaldehyde?
The InChIKey is RQSLNVCBUKIZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O6/c1-17-9-3-2-6(7(4-12)11(9)16)10(15)8(14)5-13/h2-4,8,10,13-16H,5H2,1H3.
What are the key properties of 2-hydroxy-3-methoxy-6-(1,2,3-trihydroxypropyl)benzaldehyde?
2-hydroxy-3-methoxy-6-(1,2,3-trihydroxypropyl)benzaldehyde has a molecular weight of 242.23 g/mol, XLogP of -0.40, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-6-(1,2,3-trihydroxypropyl)benzaldehyde is sourced from PubChem (CID 170818456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).