9-[(4-hydroxyphenyl)methylidene]fluorene-2,3,6,7-tetrol

C20H14O5 — CID 21255409

IUPAC9-[(4-hydroxyphenyl)methylidene]fluorene-2,3,6,7-tetrol
SMILESOc1ccc(C=C2c3cc(O)c(O)cc3-c3cc(O)c(O)cc32)cc1
InChIInChI=1S/C20H14O5/c21-11-3-1-10(2-4-11)5-12-13-6-17(22)19(24)8-15(13)16-9-20(25)18(23)7-14(12)16/h1-9,21-25H
InChIKeyDMGKJWGUZXSXNQ-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.78
Rot. Bonds1

About 9-[(4-hydroxyphenyl)methylidene]fluorene-2,3,6,7-tetrol

9-[(4-hydroxyphenyl)methylidene]fluorene-2,3,6,7-tetrol (PubChem CID 21255409) has the molecular formula C20H14O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is 9-[(4-hydroxyphenyl)methylidene]fluorene-2,3,6,7-tetrol.

Molecular Properties

Compound Name9-[(4-hydroxyphenyl)methylidene]fluorene-2,3,6,7-tetrol
PubChem CID21255409
Molecular FormulaC20H14O5
Molecular Weight334.33 g/mol
Exact Mass334.08
IUPAC Name9-[(4-hydroxyphenyl)methylidene]fluorene-2,3,6,7-tetrol
SMILESOc1ccc(C=C2c3cc(O)c(O)cc3-c3cc(O)c(O)cc32)cc1
InChIInChI=1S/C20H14O5/c21-11-3-1-10(2-4-11)5-12-13-6-17(22)19(24)8-15(13)16-9-20(25)18(23)7-14(12)16/h1-9,21-25H
InChIKeyDMGKJWGUZXSXNQ-UHFFFAOYSA-N
XLogP3.78
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-hydroxyphenyl)methylidene]fluorene-2,3,6,7-tetrol?
The IUPAC name of 9-[(4-hydroxyphenyl)methylidene]fluorene-2,3,6,7-tetrol (CID 21255409) is 9-[(4-hydroxyphenyl)methylidene]fluorene-2,3,6,7-tetrol.
What is the SMILES notation for 9-[(4-hydroxyphenyl)methylidene]fluorene-2,3,6,7-tetrol?
The canonical SMILES for 9-[(4-hydroxyphenyl)methylidene]fluorene-2,3,6,7-tetrol is Oc1ccc(C=C2c3cc(O)c(O)cc3-c3cc(O)c(O)cc32)cc1.
What is the InChIKey of 9-[(4-hydroxyphenyl)methylidene]fluorene-2,3,6,7-tetrol?
The InChIKey is DMGKJWGUZXSXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O5/c21-11-3-1-10(2-4-11)5-12-13-6-17(22)19(24)8-15(13)16-9-20(25)18(23)7-14(12)16/h1-9,21-25H.
What are the key properties of 9-[(4-hydroxyphenyl)methylidene]fluorene-2,3,6,7-tetrol?
9-[(4-hydroxyphenyl)methylidene]fluorene-2,3,6,7-tetrol has a molecular weight of 334.33 g/mol, XLogP of 3.78, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-hydroxyphenyl)methylidene]fluorene-2,3,6,7-tetrol is sourced from PubChem (CID 21255409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).