11H-indeno[1,2-i]phenanthrene-1,2-diol

C21H14O2 — CID 175248798

IUPAC11H-indeno[1,2-i]phenanthrene-1,2-diol
SMILESOc1ccc2c(ccc3c4c(ccc32)-c2ccccc2C4)c1O
InChIInChI=1S/C21H14O2/c22-20-10-9-16-15-6-5-14-13-4-2-1-3-12(13)11-19(14)17(15)7-8-18(16)21(20)23/h1-10,22-23H,11H2
InChIKeyKFVXTZTZBBSKNF-UHFFFAOYSA-N
MW298.34 g/mol
LogP4.98
Rot. Bonds

About 11H-indeno[1,2-i]phenanthrene-1,2-diol

11H-indeno[1,2-i]phenanthrene-1,2-diol (PubChem CID 175248798) has the molecular formula C21H14O2 and a molecular weight of 298.34 g/mol. Its IUPAC name is 11H-indeno[1,2-i]phenanthrene-1,2-diol.

Molecular Properties

Compound Name11H-indeno[1,2-i]phenanthrene-1,2-diol
PubChem CID175248798
Molecular FormulaC21H14O2
Molecular Weight298.34 g/mol
Exact Mass298.10
IUPAC Name11H-indeno[1,2-i]phenanthrene-1,2-diol
SMILESOc1ccc2c(ccc3c4c(ccc32)-c2ccccc2C4)c1O
InChIInChI=1S/C21H14O2/c22-20-10-9-16-15-6-5-14-13-4-2-1-3-12(13)11-19(14)17(15)7-8-18(16)21(20)23/h1-10,22-23H,11H2
InChIKeyKFVXTZTZBBSKNF-UHFFFAOYSA-N
XLogP4.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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3-[1-(2,3-dihydroxyphenyl)-9H-fluoren-2-yl]benzene-1,2-diol
CID 141152647
2-(9H-fluoren-1-yl)-4-phenylbenzene-1,3-diol
CID 151135384
1-ethoxy-9H-fluoren-2-ol
CID 174692103
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
2-pyridin-2-yl-9H-fluoren-1-ol
CID 151501433
decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene
CID 160943205
2-[1-(2-hydroxyphenyl)-9H-fluoren-2-yl]phenol;phenol
CID 22221785
9H-fluoren-1-ol;prop-1-ene
CID 159607408
4-(1,2-dimethyl-9H-fluoren-3-yl)naphthalen-1-ol
CID 151799545
3-[1-(3-hydroxy-2-methylphenyl)-9H-fluoren-2-yl]-2-methylphenol
CID 160868332
2,11-bis(9H-fluoren-1-yl)triphenylene
CID 59489264

Frequently Asked Questions

What is the IUPAC name of 11H-indeno[1,2-i]phenanthrene-1,2-diol?
The IUPAC name of 11H-indeno[1,2-i]phenanthrene-1,2-diol (CID 175248798) is 11H-indeno[1,2-i]phenanthrene-1,2-diol.
What is the SMILES notation for 11H-indeno[1,2-i]phenanthrene-1,2-diol?
The canonical SMILES for 11H-indeno[1,2-i]phenanthrene-1,2-diol is Oc1ccc2c(ccc3c4c(ccc32)-c2ccccc2C4)c1O.
What is the InChIKey of 11H-indeno[1,2-i]phenanthrene-1,2-diol?
The InChIKey is KFVXTZTZBBSKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O2/c22-20-10-9-16-15-6-5-14-13-4-2-1-3-12(13)11-19(14)17(15)7-8-18(16)21(20)23/h1-10,22-23H,11H2.
What are the key properties of 11H-indeno[1,2-i]phenanthrene-1,2-diol?
11H-indeno[1,2-i]phenanthrene-1,2-diol has a molecular weight of 298.34 g/mol, XLogP of 4.98, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-indeno[1,2-i]phenanthrene-1,2-diol is sourced from PubChem (CID 175248798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).