4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;methane;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethanol

C84H74O6 — CID 159486944

IUPAC4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;methane;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethanol
SMILESC.CCCOc1ccc(C2(c3ccc(OCCO)cc3)c3ccccc3-c3ccccc32)cc1.Cc1cc(C2(c3ccc(O)c(C)c3)c3ccccc3-c3ccccc32)ccc1O.Cc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C30H28O3.C27H22O2.C26H20O.CH4/c1-2-20-32-24-15-11-22(12-16-24)30(23-13-17-25(18-14-23)33-21-19-31)28-9-5-3-7-26(28)27-8-4-6-10-29(27)30;1-17-15-19(11-13-25(17)28)27(20-12-14-26(29)18(2)16-20)23-9-5-3-7-21(23)22-8-4-6-10-24(22)27;1-18-10-12-19(13-11-18)26(20-14-16-21(27)17-15-20)24-8-4-2-6-22(24)23-7-3-5-9-25(23)26;/h3-18,31H,2,19-21H2,1H3;3-16,28-29H,1-2H3;2-17,27H,1H3;1H4
InChIKeyLXRVUTHMIZASRU-UHFFFAOYSA-N
MW1179.51 g/mol
LogP18.99
Rot. Bonds12

About 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;methane;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethanol

4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;methane;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethanol (PubChem CID 159486944) has the molecular formula C84H74O6 and a molecular weight of 1179.51 g/mol. Its IUPAC name is 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;methane;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethanol.

Molecular Properties

Compound Name4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;methane;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethanol
PubChem CID159486944
Molecular FormulaC84H74O6
Molecular Weight1179.51 g/mol
Exact Mass1178.55
IUPAC Name4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;methane;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethanol
SMILESC.CCCOc1ccc(C2(c3ccc(OCCO)cc3)c3ccccc3-c3ccccc32)cc1.Cc1cc(C2(c3ccc(O)c(C)c3)c3ccccc3-c3ccccc32)ccc1O.Cc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C30H28O3.C27H22O2.C26H20O.CH4/c1-2-20-32-24-15-11-22(12-16-24)30(23-13-17-25(18-14-23)33-21-19-31)28-9-5-3-7-26(28)27-8-4-6-10-29(27)30;1-17-15-19(11-13-25(17)28)27(20-12-14-26(29)18(2)16-20)23-9-5-3-7-21(23)22-8-4-6-10-24(22)27;1-18-10-12-19(13-11-18)26(20-14-16-21(27)17-15-20)24-8-4-2-6-22(24)23-7-3-5-9-25(23)26;/h3-18,31H,2,19-21H2,1H3;3-16,28-29H,1-2H3;2-17,27H,1H3;1H4
InChIKeyLXRVUTHMIZASRU-UHFFFAOYSA-N
XLogP18.99
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001179.51
LogP ≤ 518.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;methane;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethanol with MolForge

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Related Compounds

9,9-bis(4-propoxyphenyl)fluorene;ethane
CID 90994081
1,3-dioxolan-2-one;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;oxirane;propan-1-ol
CID 165074124
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2,7-dimethylfluoren-9-yl]phenoxy]ethanol
CID 171457364
2-[4-[3-[9-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenoxy]ethanol
CID 67052233
4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
CID 118232233
2-[4-[11-[4-(2-hydroxyethoxy)phenyl]-7,8-dimethylindeno[1,2-b]quinoxalin-11-yl]phenoxy]ethanol
CID 170065547
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite
CID 163468079
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol
CID 171457359
2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 155473515
4-[9-[3-[4-[3-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
CID 118667876
4-[9-[4-[[6-[[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]methyl]cyclodeca-1,3,5,7,9-pentaen-1-yl]methoxy]phenyl]fluoren-9-yl]phenol;4-[9-[4-[[4-[[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]methyl]phenyl]methoxy]phenyl]fluoren-9-yl]phenol;methane
CID 161011304
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol
CID 170283807

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;methane;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethanol?
The IUPAC name of 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;methane;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethanol (CID 159486944) is 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;methane;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethanol.
What is the SMILES notation for 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;methane;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethanol?
The canonical SMILES for 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;methane;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethanol is C.CCCOc1ccc(C2(c3ccc(OCCO)cc3)c3ccccc3-c3ccccc32)cc1.Cc1cc(C2(c3ccc(O)c(C)c3)c3ccccc3-c3ccccc32)ccc1O.Cc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;methane;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethanol?
The InChIKey is LXRVUTHMIZASRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28O3.C27H22O2.C26H20O.CH4/c1-2-20-32-24-15-11-22(12-16-24)30(23-13-17-25(18-14-23)33-21-19-31)28-9-5-3-7-26(28)27-8-4-6-10-29(27)30;1-17-15-19(11-13-25(17)28)27(20-12-14-26(29)18(2)16-20)23-9-5-3-7-21(23)22-8-4-6-10-24(22)27;1-18-10-12-19(13-11-18)26(20-14-16-21(27)17-15-20)24-8-4-2-6-22(24)23-7-3-5-9-25(23)26;/h3-18,31H,2,19-21H2,1H3;3-16,28-29H,1-2H3;2-17,27H,1H3;1H4.
What are the key properties of 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;methane;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethanol?
4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;methane;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethanol has a molecular weight of 1179.51 g/mol, XLogP of 18.99, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;methane;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethanol is sourced from PubChem (CID 159486944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).