4-hydroxy-9H-xanthene-9-carbaldehyde

C14H10O3 — CID 174562050

IUPAC4-hydroxy-9H-xanthene-9-carbaldehyde
SMILESO=CC1c2ccccc2Oc2c(O)cccc21
InChIInChI=1S/C14H10O3/c15-8-11-9-4-1-2-7-13(9)17-14-10(11)5-3-6-12(14)16/h1-8,11,16H
InChIKeyBIVUCWSPUVZLKK-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.83
Rot. Bonds1

About 4-hydroxy-9H-xanthene-9-carbaldehyde

4-hydroxy-9H-xanthene-9-carbaldehyde (PubChem CID 174562050) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-hydroxy-9H-xanthene-9-carbaldehyde.

Molecular Properties

Compound Name4-hydroxy-9H-xanthene-9-carbaldehyde
PubChem CID174562050
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Name4-hydroxy-9H-xanthene-9-carbaldehyde
SMILESO=CC1c2ccccc2Oc2c(O)cccc21
InChIInChI=1S/C14H10O3/c15-8-11-9-4-1-2-7-13(9)17-14-10(11)5-3-6-12(14)16/h1-8,11,16H
InChIKeyBIVUCWSPUVZLKK-UHFFFAOYSA-N
XLogP2.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.83
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

1,5,6-trihydroxy-9H-xanthene-9-carbaldehyde
CID 174713035
3-bromo-9H-xanthene-9-carbaldehyde
CID 174494099
2,4-diethyl-9H-xanthene-9-carbaldehyde
CID 174679590
2-benzylidene-3H-1-benzofuran-3-carbaldehyde
CID 174224759
9-methyl-7H-benzo[c]xanthene-7-carbaldehyde
CID 175020806
9H-fluorene-9-carbaldehyde
CID 11074281
2-(1-bromoethyl)-3-phenyl-4H-chromene-4-carbaldehyde
CID 174665847
4-[3-(4-chlorophenyl)-4-formyl-4H-chromen-2-yl]benzenesulfonamide
CID 174374747
(3R)-7-hydroxy-3-methyl-3H-1-benzofuran-2-one
CID 124584192
4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide
CID 174365455
9H-thioxanthene-9-carbaldehyde
CID 19958681
[4-[3-(4-fluorophenyl)-4-formyl-4H-chromen-2-yl]phenyl]methanesulfinic acid
CID 174376185

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-9H-xanthene-9-carbaldehyde?
The IUPAC name of 4-hydroxy-9H-xanthene-9-carbaldehyde (CID 174562050) is 4-hydroxy-9H-xanthene-9-carbaldehyde.
What is the SMILES notation for 4-hydroxy-9H-xanthene-9-carbaldehyde?
The canonical SMILES for 4-hydroxy-9H-xanthene-9-carbaldehyde is O=CC1c2ccccc2Oc2c(O)cccc21.
What is the InChIKey of 4-hydroxy-9H-xanthene-9-carbaldehyde?
The InChIKey is BIVUCWSPUVZLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3/c15-8-11-9-4-1-2-7-13(9)17-14-10(11)5-3-6-12(14)16/h1-8,11,16H.
What are the key properties of 4-hydroxy-9H-xanthene-9-carbaldehyde?
4-hydroxy-9H-xanthene-9-carbaldehyde has a molecular weight of 226.23 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-9H-xanthene-9-carbaldehyde is sourced from PubChem (CID 174562050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).