ethane;1-ethyl-4-(4-ethylphenoxy)benzene;9H-fluorene

C31H34O — CID 158173229

IUPACethane;1-ethyl-4-(4-ethylphenoxy)benzene;9H-fluorene
SMILESCC.CCc1ccc(Oc2ccc(CC)cc2)cc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C16H18O.C13H10.C2H6/c1-3-13-5-9-15(10-6-13)17-16-11-7-14(4-2)8-12-16;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2/h5-12H,3-4H2,1-2H3;1-8H,9H2;1-2H3
InChIKeyFXRYWIHZACBZQT-UHFFFAOYSA-N
MW422.61 g/mol
LogP8.89
Rot. Bonds4

About ethane;1-ethyl-4-(4-ethylphenoxy)benzene;9H-fluorene

ethane;1-ethyl-4-(4-ethylphenoxy)benzene;9H-fluorene (PubChem CID 158173229) has the molecular formula C31H34O and a molecular weight of 422.61 g/mol. Its IUPAC name is ethane;1-ethyl-4-(4-ethylphenoxy)benzene;9H-fluorene.

Molecular Properties

Compound Nameethane;1-ethyl-4-(4-ethylphenoxy)benzene;9H-fluorene
PubChem CID158173229
Molecular FormulaC31H34O
Molecular Weight422.61 g/mol
Exact Mass422.26
IUPAC Nameethane;1-ethyl-4-(4-ethylphenoxy)benzene;9H-fluorene
SMILESCC.CCc1ccc(Oc2ccc(CC)cc2)cc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C16H18O.C13H10.C2H6/c1-3-13-5-9-15(10-6-13)17-16-11-7-14(4-2)8-12-16;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2/h5-12H,3-4H2,1-2H3;1-8H,9H2;1-2H3
InChIKeyFXRYWIHZACBZQT-UHFFFAOYSA-N
XLogP8.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.61
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-ethyltriphenylene;9H-fluorene
CID 158463433
ethane;ethylbenzene;9H-fluorene;methylcyclopentane
CID 91074551
ethanamine;9H-fluorene
CID 158316259
ethane;9H-fluorene;methane;methoxyethane;propane
CID 159155851
2-[(3,5-diethylphenyl)methyl]-9H-fluorene
CID 167699473
1,3-bis(4-ethylphenoxy)benzene
CID 145452264
bis(9H-fluorene);pentane
CID 159146463
1,2-bis(4-ethylphenyl)-9H-fluorene
CID 151520467
bis(9H-fluorene);methane;pentane
CID 158815702
3-ethylpentane;bis(9H-fluorene)
CID 161034043
1-ethyl-4-(4-iodophenoxy)benzene
CID 118066756
pentakis(N-ethylethanamine);9H-fluorene
CID 172860190

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-(4-ethylphenoxy)benzene;9H-fluorene?
The IUPAC name of ethane;1-ethyl-4-(4-ethylphenoxy)benzene;9H-fluorene (CID 158173229) is ethane;1-ethyl-4-(4-ethylphenoxy)benzene;9H-fluorene.
What is the SMILES notation for ethane;1-ethyl-4-(4-ethylphenoxy)benzene;9H-fluorene?
The canonical SMILES for ethane;1-ethyl-4-(4-ethylphenoxy)benzene;9H-fluorene is CC.CCc1ccc(Oc2ccc(CC)cc2)cc1.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of ethane;1-ethyl-4-(4-ethylphenoxy)benzene;9H-fluorene?
The InChIKey is FXRYWIHZACBZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O.C13H10.C2H6/c1-3-13-5-9-15(10-6-13)17-16-11-7-14(4-2)8-12-16;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2/h5-12H,3-4H2,1-2H3;1-8H,9H2;1-2H3.
What are the key properties of ethane;1-ethyl-4-(4-ethylphenoxy)benzene;9H-fluorene?
ethane;1-ethyl-4-(4-ethylphenoxy)benzene;9H-fluorene has a molecular weight of 422.61 g/mol, XLogP of 8.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-(4-ethylphenoxy)benzene;9H-fluorene is sourced from PubChem (CID 158173229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).