6-chloro-4-(hydroxymethyl)-2,3-dimethoxybenzaldehyde

C10H11ClO4 — CID 84693990

IUPAC6-chloro-4-(hydroxymethyl)-2,3-dimethoxybenzaldehyde
SMILESCOc1c(CO)cc(Cl)c(C=O)c1OC
InChIInChI=1S/C10H11ClO4/c1-14-9-6(4-12)3-8(11)7(5-13)10(9)15-2/h3,5,12H,4H2,1-2H3
InChIKeyJLGUJXGCGAPEKF-UHFFFAOYSA-N
MW230.65 g/mol
LogP1.66
Rot. Bonds4

About 6-chloro-4-(hydroxymethyl)-2,3-dimethoxybenzaldehyde

6-chloro-4-(hydroxymethyl)-2,3-dimethoxybenzaldehyde (PubChem CID 84693990) has the molecular formula C10H11ClO4 and a molecular weight of 230.65 g/mol. Its IUPAC name is 6-chloro-4-(hydroxymethyl)-2,3-dimethoxybenzaldehyde.

Molecular Properties

Compound Name6-chloro-4-(hydroxymethyl)-2,3-dimethoxybenzaldehyde
PubChem CID84693990
Molecular FormulaC10H11ClO4
Molecular Weight230.65 g/mol
Exact Mass230.03
IUPAC Name6-chloro-4-(hydroxymethyl)-2,3-dimethoxybenzaldehyde
SMILESCOc1c(CO)cc(Cl)c(C=O)c1OC
InChIInChI=1S/C10H11ClO4/c1-14-9-6(4-12)3-8(11)7(5-13)10(9)15-2/h3,5,12H,4H2,1-2H3
InChIKeyJLGUJXGCGAPEKF-UHFFFAOYSA-N
XLogP1.66
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-[(hydroxyamino)methyl]-2,3-dimethoxybenzaldehyde
CID 117366491
4-acetyl-6-chloro-2,3-dimethoxybenzaldehyde
CID 84703434
6-chloro-4-(hydroxymethyl)-1-benzothiophene-7-carbaldehyde
CID 130792151
4-(1-aminoethyl)-6-chloro-2,3-dimethoxybenzaldehyde
CID 84704040
(5-chloro-3,4-dimethoxy-2-methylphenyl)methanol
CID 84682296
6-bromo-4-(2-hydroxyethyl)-2,3-dimethoxybenzaldehyde
CID 117466700
(4-chloro-2,3-dimethoxyphenyl)methanol
CID 84671127
4-(4-aminobutan-2-yl)-6-chloro-2,3-dimethoxybenzaldehyde
CID 117432338
5-(hydroxymethyl)-3-methoxy-2-methylpyridine-4-carbaldehyde
CID 23422601
6-chloro-2,3-dimethoxybenzaldehyde
CID 19389247
[3,5-bis(hydroxymethyl)-4-methoxyphenyl]methanol
CID 154087943
(5-chloro-2-ethyl-4-methoxyphenyl)methanol
CID 84669748

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(hydroxymethyl)-2,3-dimethoxybenzaldehyde?
The IUPAC name of 6-chloro-4-(hydroxymethyl)-2,3-dimethoxybenzaldehyde (CID 84693990) is 6-chloro-4-(hydroxymethyl)-2,3-dimethoxybenzaldehyde.
What is the SMILES notation for 6-chloro-4-(hydroxymethyl)-2,3-dimethoxybenzaldehyde?
The canonical SMILES for 6-chloro-4-(hydroxymethyl)-2,3-dimethoxybenzaldehyde is COc1c(CO)cc(Cl)c(C=O)c1OC.
What is the InChIKey of 6-chloro-4-(hydroxymethyl)-2,3-dimethoxybenzaldehyde?
The InChIKey is JLGUJXGCGAPEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4/c1-14-9-6(4-12)3-8(11)7(5-13)10(9)15-2/h3,5,12H,4H2,1-2H3.
What are the key properties of 6-chloro-4-(hydroxymethyl)-2,3-dimethoxybenzaldehyde?
6-chloro-4-(hydroxymethyl)-2,3-dimethoxybenzaldehyde has a molecular weight of 230.65 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(hydroxymethyl)-2,3-dimethoxybenzaldehyde is sourced from PubChem (CID 84693990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).