9H-fluorene;2-methylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane

C26H28O4 — CID 174796639

IUPAC9H-fluorene;2-methylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.Cc1ccccc1O.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C7H8O.C6H10O3/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-4-2-3-5-7(6)8;1(5-3-8-5)7-2-6-4-9-6/h1-8H,9H2;2-5,8H,1H3;5-6H,1-4H2
InChIKeyBRVFHBVQPLZBDB-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.76
Rot. Bonds4

About 9H-fluorene;2-methylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane

9H-fluorene;2-methylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 174796639) has the molecular formula C26H28O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is 9H-fluorene;2-methylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name9H-fluorene;2-methylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID174796639
Molecular FormulaC26H28O4
Molecular Weight404.51 g/mol
Exact Mass404.20
IUPAC Name9H-fluorene;2-methylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.Cc1ccccc1O.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C7H8O.C6H10O3/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-4-2-3-5-7(6)8;1(5-3-8-5)7-2-6-4-9-6/h1-8H,9H2;2-5,8H,1H3;5-6H,1-4H2
InChIKeyBRVFHBVQPLZBDB-UHFFFAOYSA-N
XLogP4.76
TPSA54.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

benzene;2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174448667
4-(4-hydroxy-2,3-dimethylphenyl)-2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 146291909
bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158653156
2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,4,5-tetratert-butyl-6-(2-hydroxyphenyl)phenol
CID 174988323
oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol
CID 87608532
9H-fluorene;2-methyl-4-(oxiran-2-yl)but-2-enoic acid
CID 175383230
ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;1,4-xylene
CID 126511442
2-(2-hydroxyphenyl)-3,3,5,5-tetramethylcyclohexen-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 175107460
1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87260520
2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,5-trimethylbenzene-1,4-diol
CID 22457219
2-(oxiran-2-ylmethoxymethyl)oxirane;2-prop-2-enylphenol
CID 19736108
aniline;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158083266

Frequently Asked Questions

What is the IUPAC name of 9H-fluorene;2-methylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of 9H-fluorene;2-methylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 174796639) is 9H-fluorene;2-methylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for 9H-fluorene;2-methylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for 9H-fluorene;2-methylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.Cc1ccccc1O.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 9H-fluorene;2-methylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is BRVFHBVQPLZBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C7H8O.C6H10O3/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-4-2-3-5-7(6)8;1(5-3-8-5)7-2-6-4-9-6/h1-8H,9H2;2-5,8H,1H3;5-6H,1-4H2.
What are the key properties of 9H-fluorene;2-methylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
9H-fluorene;2-methylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 404.51 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluorene;2-methylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 174796639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).