2-[2-cyclohexyl-4-[9-[3-cyclohexyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol

C41H46O4 — CID 66672248

IUPAC2-[2-cyclohexyl-4-[9-[3-cyclohexyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol
SMILESOCCOc1ccc(C2(c3ccc(OCCO)c(C4CCCCC4)c3)c3ccccc3-c3ccccc32)cc1C1CCCCC1
InChIInChI=1S/C41H46O4/c42-23-25-44-39-21-19-31(27-35(39)29-11-3-1-4-12-29)41(37-17-9-7-15-33(37)34-16-8-10-18-38(34)41)32-20-22-40(45-26-24-43)36(28-32)30-13-5-2-6-14-30/h7-10,15-22,27-30,42-43H,1-6,11-14,23-26H2
InChIKeyYBHWVDKCKDWQBX-UHFFFAOYSA-N
MW602.82 g/mol
LogP8.89
Rot. Bonds10

About 2-[2-cyclohexyl-4-[9-[3-cyclohexyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol

2-[2-cyclohexyl-4-[9-[3-cyclohexyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol (PubChem CID 66672248) has the molecular formula C41H46O4 and a molecular weight of 602.82 g/mol. Its IUPAC name is 2-[2-cyclohexyl-4-[9-[3-cyclohexyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-cyclohexyl-4-[9-[3-cyclohexyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol
PubChem CID66672248
Molecular FormulaC41H46O4
Molecular Weight602.82 g/mol
Exact Mass602.34
IUPAC Name2-[2-cyclohexyl-4-[9-[3-cyclohexyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol
SMILESOCCOc1ccc(C2(c3ccc(OCCO)c(C4CCCCC4)c3)c3ccccc3-c3ccccc32)cc1C1CCCCC1
InChIInChI=1S/C41H46O4/c42-23-25-44-39-21-19-31(27-35(39)29-11-3-1-4-12-29)41(37-17-9-7-15-33(37)34-16-8-10-18-38(34)41)32-20-22-40(45-26-24-43)36(28-32)30-13-5-2-6-14-30/h7-10,15-22,27-30,42-43H,1-6,11-14,23-26H2
InChIKeyYBHWVDKCKDWQBX-UHFFFAOYSA-N
XLogP8.89
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.82
LogP ≤ 58.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-cyclohexyl-4-[9-[3-cyclohexyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol with MolForge

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Related Compounds

((3-(sec-Butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene
CID 129318102
9,9-Bis[4-(2-hydroxyethoxy)phenyl]fluorene
CID 3764404
Ethanol, 2,2'-[(octahydro-4,7-methano-5H-inden-5-ylidene)bis(4,1-phenyleneoxy)]bis-
CID 18427155
2-(4-{2-[4-(2-Hydroxy-ethoxy)-phenyl]-bicyclo[2.2.1]hept-2-yl}-phenoxy)-ethanol
CID 21847229
Selaginpulvilin O
CID 137628497
2-[1-[2-(2-Hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol
CID 316690
Oxirane, 2,2'-[9H-fluoren-9-ylidenebis(4,1-phenyleneoxymethylene)]bis-
CID 93249
(8R,9S,13S,14S,17R)-13-methyl-17-[(4-phenylmethoxyphenyl)methyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 10742925
(2S)-3-(4-(3-(4-(2-hydroxy-3,3-dimethyl-6-phenylhexyloxy)-3-methylphenyl)pentan-3-yl)-2-methylphenoxy)propane-1,2-diol
CID 50899366
(2S)-3-(4-(3-(4-(2-hydroxy-3,3-dimethyl-5-phenylpentyloxy)-3-methylphenyl)pentan-3-yl)-2-methylphenoxy)propane-1,2-diol
CID 52943284
Selaginpulvilin S
CID 137628587
1,1'-(Isopropylidenebis(p-phenyleneoxy))bis(3-phenoxypropan-2-ol)
CID 6451805

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclohexyl-4-[9-[3-cyclohexyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol?
The IUPAC name of 2-[2-cyclohexyl-4-[9-[3-cyclohexyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol (CID 66672248) is 2-[2-cyclohexyl-4-[9-[3-cyclohexyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-cyclohexyl-4-[9-[3-cyclohexyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol?
The canonical SMILES for 2-[2-cyclohexyl-4-[9-[3-cyclohexyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol is OCCOc1ccc(C2(c3ccc(OCCO)c(C4CCCCC4)c3)c3ccccc3-c3ccccc32)cc1C1CCCCC1.
What is the InChIKey of 2-[2-cyclohexyl-4-[9-[3-cyclohexyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol?
The InChIKey is YBHWVDKCKDWQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H46O4/c42-23-25-44-39-21-19-31(27-35(39)29-11-3-1-4-12-29)41(37-17-9-7-15-33(37)34-16-8-10-18-38(34)41)32-20-22-40(45-26-24-43)36(28-32)30-13-5-2-6-14-30/h7-10,15-22,27-30,42-43H,1-6,11-14,23-26H2.
What are the key properties of 2-[2-cyclohexyl-4-[9-[3-cyclohexyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol?
2-[2-cyclohexyl-4-[9-[3-cyclohexyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol has a molecular weight of 602.82 g/mol, XLogP of 8.89, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclohexyl-4-[9-[3-cyclohexyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol is sourced from PubChem (CID 66672248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).