2-hydroxy-6-(3-hydroxyprop-1-enyl)-3-methoxybenzaldehyde

C11H12O4 — CID 169453822

IUPAC2-hydroxy-6-(3-hydroxyprop-1-enyl)-3-methoxybenzaldehyde
SMILESCOc1ccc(C=CCO)c(C=O)c1O
InChIInChI=1S/C11H12O4/c1-15-10-5-4-8(3-2-6-12)9(7-13)11(10)14/h2-5,7,12,14H,6H2,1H3
InChIKeySVNHXFWRWPIUNS-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.22
Rot. Bonds4

About 2-hydroxy-6-(3-hydroxyprop-1-enyl)-3-methoxybenzaldehyde

2-hydroxy-6-(3-hydroxyprop-1-enyl)-3-methoxybenzaldehyde (PubChem CID 169453822) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-hydroxy-6-(3-hydroxyprop-1-enyl)-3-methoxybenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-(3-hydroxyprop-1-enyl)-3-methoxybenzaldehyde
PubChem CID169453822
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2-hydroxy-6-(3-hydroxyprop-1-enyl)-3-methoxybenzaldehyde
SMILESCOc1ccc(C=CCO)c(C=O)c1O
InChIInChI=1S/C11H12O4/c1-15-10-5-4-8(3-2-6-12)9(7-13)11(10)14/h2-5,7,12,14H,6H2,1H3
InChIKeySVNHXFWRWPIUNS-UHFFFAOYSA-N
XLogP1.22
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-en-1-ol
CID 163198757
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
2-(4-azidobut-1-enyl)-3-hydroxy-4-methoxybenzaldehyde
CID 170485837
3-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid
CID 169453813
3-(3-hydroxyprop-1-enyl)-4,5-dimethoxybenzaldehyde
CID 169454316
2-hydroxy-3-methoxy-6-(1,2,3-trihydroxypropyl)benzaldehyde
CID 170818456
3-(4-fluoro-2-methoxyphenyl)prop-2-en-1-ol
CID 67414979
3-(5-amino-2-methoxyphenyl)prop-2-en-1-ol
CID 169453414
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
(E)-3-(2,3-dimethoxyphenyl)prop-2-en-1-ol
CID 67913122
2-hydroxy-3-methoxy-6-(4-propan-2-ylphenyl)benzaldehyde
CID 59599776
6-bromo-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxybenzaldehyde
CID 160668969

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-(3-hydroxyprop-1-enyl)-3-methoxybenzaldehyde?
The IUPAC name of 2-hydroxy-6-(3-hydroxyprop-1-enyl)-3-methoxybenzaldehyde (CID 169453822) is 2-hydroxy-6-(3-hydroxyprop-1-enyl)-3-methoxybenzaldehyde.
What is the SMILES notation for 2-hydroxy-6-(3-hydroxyprop-1-enyl)-3-methoxybenzaldehyde?
The canonical SMILES for 2-hydroxy-6-(3-hydroxyprop-1-enyl)-3-methoxybenzaldehyde is COc1ccc(C=CCO)c(C=O)c1O.
What is the InChIKey of 2-hydroxy-6-(3-hydroxyprop-1-enyl)-3-methoxybenzaldehyde?
The InChIKey is SVNHXFWRWPIUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-15-10-5-4-8(3-2-6-12)9(7-13)11(10)14/h2-5,7,12,14H,6H2,1H3.
What are the key properties of 2-hydroxy-6-(3-hydroxyprop-1-enyl)-3-methoxybenzaldehyde?
2-hydroxy-6-(3-hydroxyprop-1-enyl)-3-methoxybenzaldehyde has a molecular weight of 208.21 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-(3-hydroxyprop-1-enyl)-3-methoxybenzaldehyde is sourced from PubChem (CID 169453822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).