3-butyl-5-chloro-2-hydroxybenzaldehyde

C11H13ClO2 — CID 130306548

IUPAC3-butyl-5-chloro-2-hydroxybenzaldehyde
SMILESCCCCc1cc(Cl)cc(C=O)c1O
InChIInChI=1S/C11H13ClO2/c1-2-3-4-8-5-10(12)6-9(7-13)11(8)14/h5-7,14H,2-4H2,1H3
InChIKeyWEJXUMCGOCHNIN-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.20
Rot. Bonds4

About 3-butyl-5-chloro-2-hydroxybenzaldehyde

3-butyl-5-chloro-2-hydroxybenzaldehyde (PubChem CID 130306548) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 3-butyl-5-chloro-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name3-butyl-5-chloro-2-hydroxybenzaldehyde
PubChem CID130306548
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name3-butyl-5-chloro-2-hydroxybenzaldehyde
SMILESCCCCc1cc(Cl)cc(C=O)c1O
InChIInChI=1S/C11H13ClO2/c1-2-3-4-8-5-10(12)6-9(7-13)11(8)14/h5-7,14H,2-4H2,1H3
InChIKeyWEJXUMCGOCHNIN-UHFFFAOYSA-N
XLogP3.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-5-chloro-2-hydroxybenzaldehyde
CID 4769422
4-butyl-2,5-dihydroxybenzaldehyde
CID 174681209
3-(3-formyl-2-hydroxy-6-octylphenyl)-2-hydroxy-4-octylbenzaldehyde
CID 101174824
5-chloro-2-hydroxy-3-(4-oxobut-1-enyl)benzaldehyde
CID 170482087
CID 173140007
CID 173140007
3,5-dichloro-2-hydroxybenzaldehyde;palladium(2+)
CID 175867579
3-ethyl-2-hydroxy-5-methylbenzaldehyde
CID 123167289
ethyl 3-(5-chloro-3-formyl-2-hydroxyphenyl)prop-2-enoate
CID 169480515
4-butyl-2-chlorobenzaldehyde
CID 106659115
5-[[5-butyl-3-[(3-formyl-4-hydroxyphenyl)methyl]-2-hydroxyphenyl]methyl]-2-hydroxybenzaldehyde
CID 87221690
2,4,6-tributylphenol;zirconium(2+);dichloride
CID 174692892
2-butyl-6-ethyl-4-pentylphenol
CID 66879170

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-chloro-2-hydroxybenzaldehyde?
The IUPAC name of 3-butyl-5-chloro-2-hydroxybenzaldehyde (CID 130306548) is 3-butyl-5-chloro-2-hydroxybenzaldehyde.
What is the SMILES notation for 3-butyl-5-chloro-2-hydroxybenzaldehyde?
The canonical SMILES for 3-butyl-5-chloro-2-hydroxybenzaldehyde is CCCCc1cc(Cl)cc(C=O)c1O.
What is the InChIKey of 3-butyl-5-chloro-2-hydroxybenzaldehyde?
The InChIKey is WEJXUMCGOCHNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-2-3-4-8-5-10(12)6-9(7-13)11(8)14/h5-7,14H,2-4H2,1H3.
What are the key properties of 3-butyl-5-chloro-2-hydroxybenzaldehyde?
3-butyl-5-chloro-2-hydroxybenzaldehyde has a molecular weight of 212.68 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-chloro-2-hydroxybenzaldehyde is sourced from PubChem (CID 130306548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).