9-methyl-9H-fluorene-1,2,3,4-tetrol

C14H12O4 — CID 163845357

IUPAC9-methyl-9H-fluorene-1,2,3,4-tetrol
SMILESCC1c2ccccc2-c2c(O)c(O)c(O)c(O)c21
InChIInChI=1S/C14H12O4/c1-6-7-4-2-3-5-8(7)10-9(6)11(15)13(17)14(18)12(10)16/h2-6,15-18H,1H3
InChIKeyOPQYLMXSCGWLPK-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.64
Rot. Bonds

About 9-methyl-9H-fluorene-1,2,3,4-tetrol

9-methyl-9H-fluorene-1,2,3,4-tetrol (PubChem CID 163845357) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 9-methyl-9H-fluorene-1,2,3,4-tetrol.

Molecular Properties

Compound Name9-methyl-9H-fluorene-1,2,3,4-tetrol
PubChem CID163845357
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name9-methyl-9H-fluorene-1,2,3,4-tetrol
SMILESCC1c2ccccc2-c2c(O)c(O)c(O)c(O)c21
InChIInChI=1S/C14H12O4/c1-6-7-4-2-3-5-8(7)10-9(6)11(15)13(17)14(18)12(10)16/h2-6,15-18H,1H3
InChIKeyOPQYLMXSCGWLPK-UHFFFAOYSA-N
XLogP2.64
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-methyl-9H-fluorene-1,2,3,4-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(9S,18S,27S)-9,18,27-trimethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 101264087
1,9-dimethyl-9H-fluorene
CID 28227
5,7,12-trimethyl-7,12-dihydroindeno[1,2-a]fluorene
CID 122228971
9-methyl-9H-fluorene;prop-1-ene
CID 145012304
ethane;3-hydroxy-9-methyl-9H-fluorene-4-carbaldehyde
CID 91189809
7,12-dimethyl-5-(3-methylphenyl)-7,12-dihydroindeno[1,2-a]fluorene
CID 122228966
2,3,4,9-tetramethyl-9H-indeno[2,1-b]pyran-1-ium
CID 134909481
1-methyl-2,3-di(propan-2-ylidene)-1H-indene
CID 23521644
(9-methyl-9H-fluoren-1-yl)-di(propan-2-yl)phosphane
CID 154022200
(7R)-5-[(7R)-6-hydroxy-7-phenyl-7H-benzo[c]fluoren-5-yl]-7-phenyl-7H-benzo[c]fluoren-6-ol
CID 135034006
10-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenanthren-9-ol
CID 139965265
11,12,12-trimethyl-11H-indeno[2,1-a]fluorene
CID 155761835

Frequently Asked Questions

What is the IUPAC name of 9-methyl-9H-fluorene-1,2,3,4-tetrol?
The IUPAC name of 9-methyl-9H-fluorene-1,2,3,4-tetrol (CID 163845357) is 9-methyl-9H-fluorene-1,2,3,4-tetrol.
What is the SMILES notation for 9-methyl-9H-fluorene-1,2,3,4-tetrol?
The canonical SMILES for 9-methyl-9H-fluorene-1,2,3,4-tetrol is CC1c2ccccc2-c2c(O)c(O)c(O)c(O)c21.
What is the InChIKey of 9-methyl-9H-fluorene-1,2,3,4-tetrol?
The InChIKey is OPQYLMXSCGWLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-6-7-4-2-3-5-8(7)10-9(6)11(15)13(17)14(18)12(10)16/h2-6,15-18H,1H3.
What are the key properties of 9-methyl-9H-fluorene-1,2,3,4-tetrol?
9-methyl-9H-fluorene-1,2,3,4-tetrol has a molecular weight of 244.25 g/mol, XLogP of 2.64, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-9H-fluorene-1,2,3,4-tetrol is sourced from PubChem (CID 163845357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).