(8R,9R)-2-fluoro-7,12-dimethyl-8,9-dihydrobenzo[a]anthracene-8,9-diol

C20H17FO2 — CID 71408280

IUPAC(8R,9R)-2-fluoro-7,12-dimethyl-8,9-dihydrobenzo[a]anthracene-8,9-diol
SMILESCc1c2c(c(C)c3c1ccc1ccc(F)cc13)C=C[C@@H](O)[C@@H]2O
InChIInChI=1S/C20H17FO2/c1-10-15-7-8-17(22)20(23)19(15)11(2)14-6-4-12-3-5-13(21)9-16(12)18(10)14/h3-9,17,20,22-23H,1-2H3/t17-,20+/m1/s1
InChIKeyDPVLMEIZACVXMT-XLIONFOSSA-N
MW308.35 g/mol
LogP4.17
Rot. Bonds

About (8R,9R)-2-fluoro-7,12-dimethyl-8,9-dihydrobenzo[a]anthracene-8,9-diol

(8R,9R)-2-fluoro-7,12-dimethyl-8,9-dihydrobenzo[a]anthracene-8,9-diol (PubChem CID 71408280) has the molecular formula C20H17FO2 and a molecular weight of 308.35 g/mol. Its IUPAC name is (8R,9R)-2-fluoro-7,12-dimethyl-8,9-dihydrobenzo[a]anthracene-8,9-diol.

Molecular Properties

Compound Name(8R,9R)-2-fluoro-7,12-dimethyl-8,9-dihydrobenzo[a]anthracene-8,9-diol
PubChem CID71408280
Molecular FormulaC20H17FO2
Molecular Weight308.35 g/mol
Exact Mass308.12
IUPAC Name(8R,9R)-2-fluoro-7,12-dimethyl-8,9-dihydrobenzo[a]anthracene-8,9-diol
SMILESCc1c2c(c(C)c3c1ccc1ccc(F)cc13)C=C[C@@H](O)[C@@H]2O
InChIInChI=1S/C20H17FO2/c1-10-15-7-8-17(22)20(23)19(15)11(2)14-6-4-12-3-5-13(21)9-16(12)18(10)14/h3-9,17,20,22-23H,1-2H3/t17-,20+/m1/s1
InChIKeyDPVLMEIZACVXMT-XLIONFOSSA-N
XLogP4.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8R,9R)-2-fluoro-7,12-dimethyl-8,9-dihydrobenzo[a]anthracene-8,9-diol?
The IUPAC name of (8R,9R)-2-fluoro-7,12-dimethyl-8,9-dihydrobenzo[a]anthracene-8,9-diol (CID 71408280) is (8R,9R)-2-fluoro-7,12-dimethyl-8,9-dihydrobenzo[a]anthracene-8,9-diol.
What is the SMILES notation for (8R,9R)-2-fluoro-7,12-dimethyl-8,9-dihydrobenzo[a]anthracene-8,9-diol?
The canonical SMILES for (8R,9R)-2-fluoro-7,12-dimethyl-8,9-dihydrobenzo[a]anthracene-8,9-diol is Cc1c2c(c(C)c3c1ccc1ccc(F)cc13)C=C[C@@H](O)[C@@H]2O.
What is the InChIKey of (8R,9R)-2-fluoro-7,12-dimethyl-8,9-dihydrobenzo[a]anthracene-8,9-diol?
The InChIKey is DPVLMEIZACVXMT-XLIONFOSSA-N. The full InChI is InChI=1S/C20H17FO2/c1-10-15-7-8-17(22)20(23)19(15)11(2)14-6-4-12-3-5-13(21)9-16(12)18(10)14/h3-9,17,20,22-23H,1-2H3/t17-,20+/m1/s1.
What are the key properties of (8R,9R)-2-fluoro-7,12-dimethyl-8,9-dihydrobenzo[a]anthracene-8,9-diol?
(8R,9R)-2-fluoro-7,12-dimethyl-8,9-dihydrobenzo[a]anthracene-8,9-diol has a molecular weight of 308.35 g/mol, XLogP of 4.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9R)-2-fluoro-7,12-dimethyl-8,9-dihydrobenzo[a]anthracene-8,9-diol is sourced from PubChem (CID 71408280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).