2-[2,6-di(butan-2-yl)-4-(9H-fluoren-1-yl)phenoxy]ethanol

C29H34O2 — CID 67661007

IUPAC2-[2,6-di(butan-2-yl)-4-(9H-fluoren-1-yl)phenoxy]ethanol
SMILESCCC(C)c1cc(-c2cccc3c2Cc2ccccc2-3)cc(C(C)CC)c1OCCO
InChIInChI=1S/C29H34O2/c1-5-19(3)26-17-22(18-27(20(4)6-2)29(26)31-15-14-30)24-12-9-13-25-23-11-8-7-10-21(23)16-28(24)25/h7-13,17-20,30H,5-6,14-16H2,1-4H3
InChIKeyKBVAFEABZCBOFG-UHFFFAOYSA-N
MW414.59 g/mol
LogP7.32
Rot. Bonds8

About 2-[2,6-di(butan-2-yl)-4-(9H-fluoren-1-yl)phenoxy]ethanol

2-[2,6-di(butan-2-yl)-4-(9H-fluoren-1-yl)phenoxy]ethanol (PubChem CID 67661007) has the molecular formula C29H34O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is 2-[2,6-di(butan-2-yl)-4-(9H-fluoren-1-yl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[2,6-di(butan-2-yl)-4-(9H-fluoren-1-yl)phenoxy]ethanol
PubChem CID67661007
Molecular FormulaC29H34O2
Molecular Weight414.59 g/mol
Exact Mass414.26
IUPAC Name2-[2,6-di(butan-2-yl)-4-(9H-fluoren-1-yl)phenoxy]ethanol
SMILESCCC(C)c1cc(-c2cccc3c2Cc2ccccc2-3)cc(C(C)CC)c1OCCO
InChIInChI=1S/C29H34O2/c1-5-19(3)26-17-22(18-27(20(4)6-2)29(26)31-15-14-30)24-12-9-13-25-23-11-8-7-10-21(23)16-28(24)25/h7-13,17-20,30H,5-6,14-16H2,1-4H3
InChIKeyKBVAFEABZCBOFG-UHFFFAOYSA-N
XLogP7.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(9H-fluoren-1-yl)-2,6-diphenylphenoxy]ethanol
CID 67660456
1-(4-ethoxy-3-propan-2-ylphenyl)-9H-fluorene
CID 175394997
2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethanol
CID 66730243
2-[2-(9H-fluoren-4-yl)-6-propan-2-ylphenoxy]ethanol
CID 172739883
1-(3,5-dimethoxyphenyl)-9H-fluorene
CID 152594732
4-[2-(9H-fluoren-1-yl)phenoxy]butan-1-ol
CID 151570912
2,11-bis(9H-fluoren-1-yl)triphenylene
CID 59489264
4-(9H-fluoren-1-yl)-2,6-dioctadecylphenol
CID 151971202
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
2-[4-[1-[4-(2-hydroxyethoxy)-3-(2-methylpropyl)phenyl]-9H-fluoren-2-yl]-2-(2-methylpropyl)phenoxy]ethanol
CID 141378164
4-(9H-fluoren-1-yl)pentan-2-ol
CID 151971706
1-ethoxy-9H-fluoren-2-ol
CID 174692103

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-di(butan-2-yl)-4-(9H-fluoren-1-yl)phenoxy]ethanol?
The IUPAC name of 2-[2,6-di(butan-2-yl)-4-(9H-fluoren-1-yl)phenoxy]ethanol (CID 67661007) is 2-[2,6-di(butan-2-yl)-4-(9H-fluoren-1-yl)phenoxy]ethanol.
What is the SMILES notation for 2-[2,6-di(butan-2-yl)-4-(9H-fluoren-1-yl)phenoxy]ethanol?
The canonical SMILES for 2-[2,6-di(butan-2-yl)-4-(9H-fluoren-1-yl)phenoxy]ethanol is CCC(C)c1cc(-c2cccc3c2Cc2ccccc2-3)cc(C(C)CC)c1OCCO.
What is the InChIKey of 2-[2,6-di(butan-2-yl)-4-(9H-fluoren-1-yl)phenoxy]ethanol?
The InChIKey is KBVAFEABZCBOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34O2/c1-5-19(3)26-17-22(18-27(20(4)6-2)29(26)31-15-14-30)24-12-9-13-25-23-11-8-7-10-21(23)16-28(24)25/h7-13,17-20,30H,5-6,14-16H2,1-4H3.
What are the key properties of 2-[2,6-di(butan-2-yl)-4-(9H-fluoren-1-yl)phenoxy]ethanol?
2-[2,6-di(butan-2-yl)-4-(9H-fluoren-1-yl)phenoxy]ethanol has a molecular weight of 414.59 g/mol, XLogP of 7.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-di(butan-2-yl)-4-(9H-fluoren-1-yl)phenoxy]ethanol is sourced from PubChem (CID 67661007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).