4-ethylphenol;9-(4-ethylphenoxy)-9H-fluorene

C29H28O2 — CID 158158982

IUPAC4-ethylphenol;9-(4-ethylphenoxy)-9H-fluorene
SMILESCCc1ccc(O)cc1.CCc1ccc(OC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C21H18O.C8H10O/c1-2-15-11-13-16(14-12-15)22-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21;1-2-7-3-5-8(9)6-4-7/h3-14,21H,2H2,1H3;3-6,9H,2H2,1H3
InChIKeyFWAPFZXGXFUJRP-UHFFFAOYSA-N
MW408.54 g/mol
LogP7.35
Rot. Bonds4

About 4-ethylphenol;9-(4-ethylphenoxy)-9H-fluorene

4-ethylphenol;9-(4-ethylphenoxy)-9H-fluorene (PubChem CID 158158982) has the molecular formula C29H28O2 and a molecular weight of 408.54 g/mol. Its IUPAC name is 4-ethylphenol;9-(4-ethylphenoxy)-9H-fluorene.

Molecular Properties

Compound Name4-ethylphenol;9-(4-ethylphenoxy)-9H-fluorene
PubChem CID158158982
Molecular FormulaC29H28O2
Molecular Weight408.54 g/mol
Exact Mass408.21
IUPAC Name4-ethylphenol;9-(4-ethylphenoxy)-9H-fluorene
SMILESCCc1ccc(O)cc1.CCc1ccc(OC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C21H18O.C8H10O/c1-2-15-11-13-16(14-12-15)22-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21;1-2-7-3-5-8(9)6-4-7/h3-14,21H,2H2,1H3;3-6,9H,2H2,1H3
InChIKeyFWAPFZXGXFUJRP-UHFFFAOYSA-N
XLogP7.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 160913882
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CID 169174728
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CID 90749949
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(3S)-1-azabicyclo[2.2.2]octan-3-ol;4-ethylphenol;3-(4-ethylphenoxy)-1-azabicyclo[2.2.2]octane;methane;phenol;(3R)-3-phenoxy-1-azabicyclo[2.2.2]octane
CID 159955337
3-ethylphenol;4-ethylphenol
CID 70541430
1-bromo-4-ethylbenzene;phenol
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ethylbenzene;9-methoxy-9H-fluorene;methoxymethane;bis(N-methylethanamine);bis(N-methylmethanamine);naphthalene
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9H-fluoren-9-yl 4-(hydroxymethyl)benzoate
CID 8524888

Frequently Asked Questions

What is the IUPAC name of 4-ethylphenol;9-(4-ethylphenoxy)-9H-fluorene?
The IUPAC name of 4-ethylphenol;9-(4-ethylphenoxy)-9H-fluorene (CID 158158982) is 4-ethylphenol;9-(4-ethylphenoxy)-9H-fluorene.
What is the SMILES notation for 4-ethylphenol;9-(4-ethylphenoxy)-9H-fluorene?
The canonical SMILES for 4-ethylphenol;9-(4-ethylphenoxy)-9H-fluorene is CCc1ccc(O)cc1.CCc1ccc(OC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 4-ethylphenol;9-(4-ethylphenoxy)-9H-fluorene?
The InChIKey is FWAPFZXGXFUJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O.C8H10O/c1-2-15-11-13-16(14-12-15)22-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21;1-2-7-3-5-8(9)6-4-7/h3-14,21H,2H2,1H3;3-6,9H,2H2,1H3.
What are the key properties of 4-ethylphenol;9-(4-ethylphenoxy)-9H-fluorene?
4-ethylphenol;9-(4-ethylphenoxy)-9H-fluorene has a molecular weight of 408.54 g/mol, XLogP of 7.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylphenol;9-(4-ethylphenoxy)-9H-fluorene is sourced from PubChem (CID 158158982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).