(4R,5R)-4,5-dihydrobenzo[k]fluoranthene-4,5-diol

C20H14O2 — CID 14022175

IUPAC(4R,5R)-4,5-dihydrobenzo[k]fluoranthene-4,5-diol
SMILESO[C@@H]1C=C2c3cc4ccccc4cc3-c3cccc(c32)[C@H]1O
InChIInChI=1S/C20H14O2/c21-18-10-17-16-9-12-5-2-1-4-11(12)8-15(16)13-6-3-7-14(19(13)17)20(18)22/h1-10,18,20-22H/t18-,20-/m1/s1
InChIKeyOFEOEMYUJQKIRD-UYAOXDASSA-N
MW286.33 g/mol
LogP3.66
Rot. Bonds

About (4R,5R)-4,5-dihydrobenzo[k]fluoranthene-4,5-diol

(4R,5R)-4,5-dihydrobenzo[k]fluoranthene-4,5-diol (PubChem CID 14022175) has the molecular formula C20H14O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (4R,5R)-4,5-dihydrobenzo[k]fluoranthene-4,5-diol.

Molecular Properties

Compound Name(4R,5R)-4,5-dihydrobenzo[k]fluoranthene-4,5-diol
PubChem CID14022175
Molecular FormulaC20H14O2
Molecular Weight286.33 g/mol
Exact Mass286.10
IUPAC Name(4R,5R)-4,5-dihydrobenzo[k]fluoranthene-4,5-diol
SMILESO[C@@H]1C=C2c3cc4ccccc4cc3-c3cccc(c32)[C@H]1O
InChIInChI=1S/C20H14O2/c21-18-10-17-16-9-12-5-2-1-4-11(12)8-15(16)13-6-3-7-14(19(13)17)20(18)22/h1-10,18,20-22H/t18-,20-/m1/s1
InChIKeyOFEOEMYUJQKIRD-UYAOXDASSA-N
XLogP3.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-dihydrobenzo[k]fluoranthene-4,5-diol?
The IUPAC name of (4R,5R)-4,5-dihydrobenzo[k]fluoranthene-4,5-diol (CID 14022175) is (4R,5R)-4,5-dihydrobenzo[k]fluoranthene-4,5-diol.
What is the SMILES notation for (4R,5R)-4,5-dihydrobenzo[k]fluoranthene-4,5-diol?
The canonical SMILES for (4R,5R)-4,5-dihydrobenzo[k]fluoranthene-4,5-diol is O[C@@H]1C=C2c3cc4ccccc4cc3-c3cccc(c32)[C@H]1O.
What is the InChIKey of (4R,5R)-4,5-dihydrobenzo[k]fluoranthene-4,5-diol?
The InChIKey is OFEOEMYUJQKIRD-UYAOXDASSA-N. The full InChI is InChI=1S/C20H14O2/c21-18-10-17-16-9-12-5-2-1-4-11(12)8-15(16)13-6-3-7-14(19(13)17)20(18)22/h1-10,18,20-22H/t18-,20-/m1/s1.
What are the key properties of (4R,5R)-4,5-dihydrobenzo[k]fluoranthene-4,5-diol?
(4R,5R)-4,5-dihydrobenzo[k]fluoranthene-4,5-diol has a molecular weight of 286.33 g/mol, XLogP of 3.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-dihydrobenzo[k]fluoranthene-4,5-diol is sourced from PubChem (CID 14022175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).