CID 130345281

C8H8KO3 — CID 130345281

IUPAC—
SMILESCOc1cc(C=O)ccc1O.[K]
InChIInChI=1S/C8H8O3.K/c1-11-8-4-6(5-9)2-3-7(8)10;/h2-5,10H,1H3;
InChIKeyBRCPUXMQPIYRGB-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.83
Rot. Bonds2

About CID 130345281

CID 130345281 (PubChem CID 130345281) has the molecular formula C8H8KO3 and a molecular weight of 191.25 g/mol.

Molecular Properties

Compound NameCID 130345281
PubChem CID130345281
Molecular FormulaC8H8KO3
Molecular Weight191.25 g/mol
Exact Mass191.01
IUPAC Name—
SMILESCOc1cc(C=O)ccc1O.[K]
InChIInChI=1S/C8H8O3.K/c1-11-8-4-6(5-9)2-3-7(8)10;/h2-5,10H,1H3;
InChIKeyBRCPUXMQPIYRGB-UHFFFAOYSA-N
XLogP0.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde
CID 175414068
4-hydroxy-3-methoxybenzaldehyde;sulfuric acid
CID 174785740
4-hydroxy-3-methoxybenzaldehyde;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 139058422
4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid
CID 53442983
furan;4-hydroxy-3-methoxybenzaldehyde
CID 174443799
4-hydroxy-3-methoxybenzaldehyde;propane-1,2,3-triol
CID 138752381
4-hydroxy-3-methylperoxybenzaldehyde
CID 131965744
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
4-hydroxy-3-methoxybenzaldehyde;3-methylbutanoic acid
CID 134284747
ethane;3-hydroxy-4-methoxybenzaldehyde
CID 145493378
3-(4-hydroxy-3-methoxyphenyl)prop-2-enal;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
CID 172694499

Frequently Asked Questions

What is the IUPAC name of CID 130345281?
The IUPAC name of CID 130345281 (CID 130345281) is not available.
What is the SMILES notation for CID 130345281?
The canonical SMILES for CID 130345281 is COc1cc(C=O)ccc1O.[K].
What is the InChIKey of CID 130345281?
The InChIKey is BRCPUXMQPIYRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.K/c1-11-8-4-6(5-9)2-3-7(8)10;/h2-5,10H,1H3;.
What are the key properties of CID 130345281?
CID 130345281 has a molecular weight of 191.25 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 130345281 is sourced from PubChem (CID 130345281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).