2,2-diphenoxyethanol;9H-fluorene

C27H24O3 — CID 155169459

IUPAC2,2-diphenoxyethanol;9H-fluorene
SMILESOCC(Oc1ccccc1)Oc1ccccc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C14H14O3.C13H10/c15-11-14(16-12-7-3-1-4-8-12)17-13-9-5-2-6-10-13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-10,14-15H,11H2;1-8H,9H2
InChIKeyISCSIGLZPACZFS-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.72
Rot. Bonds5

About 2,2-diphenoxyethanol;9H-fluorene

2,2-diphenoxyethanol;9H-fluorene (PubChem CID 155169459) has the molecular formula C27H24O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2,2-diphenoxyethanol;9H-fluorene.

Molecular Properties

Compound Name2,2-diphenoxyethanol;9H-fluorene
PubChem CID155169459
Molecular FormulaC27H24O3
Molecular Weight396.49 g/mol
Exact Mass396.17
IUPAC Name2,2-diphenoxyethanol;9H-fluorene
SMILESOCC(Oc1ccccc1)Oc1ccccc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C14H14O3.C13H10/c15-11-14(16-12-7-3-1-4-8-12)17-13-9-5-2-6-10-13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-10,14-15H,11H2;1-8H,9H2
InChIKeyISCSIGLZPACZFS-UHFFFAOYSA-N
XLogP5.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

9H-fluorene;propane-1,2-diol
CID 158061143
butane-1,4-diol;9H-fluorene
CID 158933795
cadmium;9H-fluorene
CID 175337736
azane;hexakis(9H-fluorene)
CID 158472914
9H-fluorene;trihydrofluoride
CID 172854917
chromium;9H-fluorene
CID 161167703
2-phenoxy-2-(3-phenoxypropoxy)ethanol
CID 57182517
ethene;9H-fluorene
CID 159544077
9H-fluorene;sulfane;hydrate
CID 159057499
azane;9H-fluorene;hydrobromide
CID 174352852
9H-fluorene;propanoic acid
CID 67831567
2-(2-phenoxy-9H-fluoren-1-yl)ethanol
CID 175802941

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenoxyethanol;9H-fluorene?
The IUPAC name of 2,2-diphenoxyethanol;9H-fluorene (CID 155169459) is 2,2-diphenoxyethanol;9H-fluorene.
What is the SMILES notation for 2,2-diphenoxyethanol;9H-fluorene?
The canonical SMILES for 2,2-diphenoxyethanol;9H-fluorene is OCC(Oc1ccccc1)Oc1ccccc1.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2,2-diphenoxyethanol;9H-fluorene?
The InChIKey is ISCSIGLZPACZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3.C13H10/c15-11-14(16-12-7-3-1-4-8-12)17-13-9-5-2-6-10-13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-10,14-15H,11H2;1-8H,9H2.
What are the key properties of 2,2-diphenoxyethanol;9H-fluorene?
2,2-diphenoxyethanol;9H-fluorene has a molecular weight of 396.49 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenoxyethanol;9H-fluorene is sourced from PubChem (CID 155169459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).