2,6-dimethylbenzene-1,4-diol;9H-fluorene

C21H20O2 — CID 162146644

IUPAC2,6-dimethylbenzene-1,4-diol;9H-fluorene
SMILESCc1cc(O)cc(C)c1O.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C8H10O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-5-3-7(9)4-6(2)8(5)10/h1-8H,9H2;3-4,9-10H,1-2H3
InChIKeyZKQKIONCMGEAKS-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.97
Rot. Bonds

About 2,6-dimethylbenzene-1,4-diol;9H-fluorene

2,6-dimethylbenzene-1,4-diol;9H-fluorene (PubChem CID 162146644) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2,6-dimethylbenzene-1,4-diol;9H-fluorene.

Molecular Properties

Compound Name2,6-dimethylbenzene-1,4-diol;9H-fluorene
PubChem CID162146644
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name2,6-dimethylbenzene-1,4-diol;9H-fluorene
SMILESCc1cc(O)cc(C)c1O.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C8H10O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-5-3-7(9)4-6(2)8(5)10/h1-8H,9H2;3-4,9-10H,1-2H3
InChIKeyZKQKIONCMGEAKS-UHFFFAOYSA-N
XLogP4.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;9H-fluoren-2-ol
CID 91146688
9H-fluorene;oxophosphane
CID 174601741
cadmium;9H-fluorene
CID 175337736
azane;hexakis(9H-fluorene)
CID 158472914
9H-fluorene;trihydrofluoride
CID 172854917
chromium;9H-fluorene
CID 161167703
1,1'-biphenyl;9H-fluorene;phenol
CID 161306435
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
azane;9H-fluorene;hydrobromide
CID 174352852
ethene;9H-fluorene
CID 159544077
9H-fluorene;sulfane;hydrate
CID 159057499
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylbenzene-1,4-diol;9H-fluorene?
The IUPAC name of 2,6-dimethylbenzene-1,4-diol;9H-fluorene (CID 162146644) is 2,6-dimethylbenzene-1,4-diol;9H-fluorene.
What is the SMILES notation for 2,6-dimethylbenzene-1,4-diol;9H-fluorene?
The canonical SMILES for 2,6-dimethylbenzene-1,4-diol;9H-fluorene is Cc1cc(O)cc(C)c1O.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2,6-dimethylbenzene-1,4-diol;9H-fluorene?
The InChIKey is ZKQKIONCMGEAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C8H10O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-5-3-7(9)4-6(2)8(5)10/h1-8H,9H2;3-4,9-10H,1-2H3.
What are the key properties of 2,6-dimethylbenzene-1,4-diol;9H-fluorene?
2,6-dimethylbenzene-1,4-diol;9H-fluorene has a molecular weight of 304.39 g/mol, XLogP of 4.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylbenzene-1,4-diol;9H-fluorene is sourced from PubChem (CID 162146644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).