5-hydroxy-2,3-dimethoxy-7H-benzo[c]fluorene-7-carbaldehyde

C20H16O4 — CID 175005782

IUPAC5-hydroxy-2,3-dimethoxy-7H-benzo[c]fluorene-7-carbaldehyde
SMILESCOc1cc2c(O)cc3c(c2cc1OC)-c1ccccc1C3C=O
InChIInChI=1S/C20H16O4/c1-23-18-8-13-15(9-19(18)24-2)20-12-6-4-3-5-11(12)16(10-21)14(20)7-17(13)22/h3-10,16,22H,1-2H3
InChIKeyCDQHCPPYRGMSRV-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.87
Rot. Bonds3

About 5-hydroxy-2,3-dimethoxy-7H-benzo[c]fluorene-7-carbaldehyde

5-hydroxy-2,3-dimethoxy-7H-benzo[c]fluorene-7-carbaldehyde (PubChem CID 175005782) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is 5-hydroxy-2,3-dimethoxy-7H-benzo[c]fluorene-7-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-2,3-dimethoxy-7H-benzo[c]fluorene-7-carbaldehyde
PubChem CID175005782
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name5-hydroxy-2,3-dimethoxy-7H-benzo[c]fluorene-7-carbaldehyde
SMILESCOc1cc2c(O)cc3c(c2cc1OC)-c1ccccc1C3C=O
InChIInChI=1S/C20H16O4/c1-23-18-8-13-15(9-19(18)24-2)20-12-6-4-3-5-11(12)16(10-21)14(20)7-17(13)22/h3-10,16,22H,1-2H3
InChIKeyCDQHCPPYRGMSRV-UHFFFAOYSA-N
XLogP3.87
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.87
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

7,7-diethyl-2,3-dimethoxybenzo[c]fluoren-5-ol
CID 170317987
2,3-dimethoxy-7-(trifluoromethyl)benzo[c]fluorene-5,7-diol
CID 67228250
2,3-dimethoxy-7-methylnaphtho[2,1-b][1]benziodol-5-ol
CID 163890616
7H-benzo[c]fluorene-7-carbaldehyde
CID 175577015
4-(3-hydroxy-3-methylbutoxy)-9H-fluorene-9-carbaldehyde
CID 175326415
2-methoxyphenol;molecular bromine
CID 141484212
7-hydroxy-3-(2-methoxyphenyl)-8-methyl-4H-chromene-4-carbaldehyde
CID 174640742
2-fluoro-4-hydroxy-3-methoxy-6-(2-methoxyphenyl)benzaldehyde
CID 91195039
3-bromo-9H-fluorene-9-carbaldehyde
CID 174549083
8-hydroxy-1,2,3-trimethoxybenzo[a]anthracene-7,12-dione
CID 11175958
azane;2-methoxyphenol
CID 172717837
spiro[9H-anthracene-10,9'-fluorene]-9-carbaldehyde
CID 175453260

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,3-dimethoxy-7H-benzo[c]fluorene-7-carbaldehyde?
The IUPAC name of 5-hydroxy-2,3-dimethoxy-7H-benzo[c]fluorene-7-carbaldehyde (CID 175005782) is 5-hydroxy-2,3-dimethoxy-7H-benzo[c]fluorene-7-carbaldehyde.
What is the SMILES notation for 5-hydroxy-2,3-dimethoxy-7H-benzo[c]fluorene-7-carbaldehyde?
The canonical SMILES for 5-hydroxy-2,3-dimethoxy-7H-benzo[c]fluorene-7-carbaldehyde is COc1cc2c(O)cc3c(c2cc1OC)-c1ccccc1C3C=O.
What is the InChIKey of 5-hydroxy-2,3-dimethoxy-7H-benzo[c]fluorene-7-carbaldehyde?
The InChIKey is CDQHCPPYRGMSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c1-23-18-8-13-15(9-19(18)24-2)20-12-6-4-3-5-11(12)16(10-21)14(20)7-17(13)22/h3-10,16,22H,1-2H3.
What are the key properties of 5-hydroxy-2,3-dimethoxy-7H-benzo[c]fluorene-7-carbaldehyde?
5-hydroxy-2,3-dimethoxy-7H-benzo[c]fluorene-7-carbaldehyde has a molecular weight of 320.34 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,3-dimethoxy-7H-benzo[c]fluorene-7-carbaldehyde is sourced from PubChem (CID 175005782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).