2-chloro-5-hydroxy-4-(2-methoxyphenyl)sulfanylbenzaldehyde

C14H11ClO3S — CID 91289856

IUPAC2-chloro-5-hydroxy-4-(2-methoxyphenyl)sulfanylbenzaldehyde
SMILESCOc1ccccc1Sc1cc(Cl)c(C=O)cc1O
InChIInChI=1S/C14H11ClO3S/c1-18-12-4-2-3-5-13(12)19-14-7-10(15)9(8-16)6-11(14)17/h2-8,17H,1H3
InChIKeyVAKOQXFQLOJHGP-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.02
Rot. Bonds4

About 2-chloro-5-hydroxy-4-(2-methoxyphenyl)sulfanylbenzaldehyde

2-chloro-5-hydroxy-4-(2-methoxyphenyl)sulfanylbenzaldehyde (PubChem CID 91289856) has the molecular formula C14H11ClO3S and a molecular weight of 294.76 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-4-(2-methoxyphenyl)sulfanylbenzaldehyde.

Molecular Properties

Compound Name2-chloro-5-hydroxy-4-(2-methoxyphenyl)sulfanylbenzaldehyde
PubChem CID91289856
Molecular FormulaC14H11ClO3S
Molecular Weight294.76 g/mol
Exact Mass294.01
IUPAC Name2-chloro-5-hydroxy-4-(2-methoxyphenyl)sulfanylbenzaldehyde
SMILESCOc1ccccc1Sc1cc(Cl)c(C=O)cc1O
InChIInChI=1S/C14H11ClO3S/c1-18-12-4-2-3-5-13(12)19-14-7-10(15)9(8-16)6-11(14)17/h2-8,17H,1H3
InChIKeyVAKOQXFQLOJHGP-UHFFFAOYSA-N
XLogP4.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 54.02
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

2-(2-methoxyphenyl)sulfanylbenzaldehyde
CID 12946428
[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]methanol
CID 63835528
4-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)benzaldehyde
CID 10870668
2-hydroxy-3-methoxybenzaldehyde
CID 8991
5-(2-chlorophenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 39224803
4-[(2-formylphenoxy)methyl]-2-hydroxy-5-methoxybenzaldehyde
CID 57278060
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
2,4-dichloro-6-(2-methoxyphenyl)sulfanyl-1,3,5-triazine
CID 62868242
ethene;2-hydroxy-3-methoxybenzaldehyde
CID 175162627
2-hydroxybenzaldehyde;2-methoxyaniline
CID 174410348
5-amino-3-chloro-2-(2-methoxyphenyl)sulfanylbenzamide
CID 107198624

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-4-(2-methoxyphenyl)sulfanylbenzaldehyde?
The IUPAC name of 2-chloro-5-hydroxy-4-(2-methoxyphenyl)sulfanylbenzaldehyde (CID 91289856) is 2-chloro-5-hydroxy-4-(2-methoxyphenyl)sulfanylbenzaldehyde.
What is the SMILES notation for 2-chloro-5-hydroxy-4-(2-methoxyphenyl)sulfanylbenzaldehyde?
The canonical SMILES for 2-chloro-5-hydroxy-4-(2-methoxyphenyl)sulfanylbenzaldehyde is COc1ccccc1Sc1cc(Cl)c(C=O)cc1O.
What is the InChIKey of 2-chloro-5-hydroxy-4-(2-methoxyphenyl)sulfanylbenzaldehyde?
The InChIKey is VAKOQXFQLOJHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3S/c1-18-12-4-2-3-5-13(12)19-14-7-10(15)9(8-16)6-11(14)17/h2-8,17H,1H3.
What are the key properties of 2-chloro-5-hydroxy-4-(2-methoxyphenyl)sulfanylbenzaldehyde?
2-chloro-5-hydroxy-4-(2-methoxyphenyl)sulfanylbenzaldehyde has a molecular weight of 294.76 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-4-(2-methoxyphenyl)sulfanylbenzaldehyde is sourced from PubChem (CID 91289856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).