2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2,7-dimethylfluoren-9-yl]phenoxy]ethanol

C31H30O4 — CID 171457364

IUPAC2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2,7-dimethylfluoren-9-yl]phenoxy]ethanol
SMILESCc1ccc2c(c1)C(c1ccc(OCCO)cc1)(c1ccc(OCCO)cc1)c1cc(C)ccc1-2
InChIInChI=1S/C31H30O4/c1-21-3-13-27-28-14-4-22(2)20-30(28)31(29(27)19-21,23-5-9-25(10-6-23)34-17-15-32)24-7-11-26(12-8-24)35-18-16-33/h3-14,19-20,32-33H,15-18H2,1-2H3
InChIKeyNRHDBWLNRRBBIR-UHFFFAOYSA-N
MW466.58 g/mol
LogP5.41
Rot. Bonds8

About 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2,7-dimethylfluoren-9-yl]phenoxy]ethanol

2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2,7-dimethylfluoren-9-yl]phenoxy]ethanol (PubChem CID 171457364) has the molecular formula C31H30O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2,7-dimethylfluoren-9-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2,7-dimethylfluoren-9-yl]phenoxy]ethanol
PubChem CID171457364
Molecular FormulaC31H30O4
Molecular Weight466.58 g/mol
Exact Mass466.21
IUPAC Name2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2,7-dimethylfluoren-9-yl]phenoxy]ethanol
SMILESCc1ccc2c(c1)C(c1ccc(OCCO)cc1)(c1ccc(OCCO)cc1)c1cc(C)ccc1-2
InChIInChI=1S/C31H30O4/c1-21-3-13-27-28-14-4-22(2)20-30(28)31(29(27)19-21,23-5-9-25(10-6-23)34-17-15-32)24-7-11-26(12-8-24)35-18-16-33/h3-14,19-20,32-33H,15-18H2,1-2H3
InChIKeyNRHDBWLNRRBBIR-UHFFFAOYSA-N
XLogP5.41
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-(4-hexoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene;[4-[9-(4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]phenyl]methanol
CID 123691695
9-(4-methoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 59982767
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol
CID 171457359
9,9-bis(4-hexoxyphenyl)-2,7-dimethylfluorene;1,4-dihexyl-2,5-dimethylbenzene
CID 161408851
2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine
CID 161284315
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol
CID 170283807
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-[4-(2-phenylethynyl)phenyl]fluoren-9-yl]phenoxy]ethanol
CID 171457332
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite
CID 163468079
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
9-(3,5-dimethylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 158311989
3-[4-[9-[4-(3-hydroxypropoxy)phenyl]-2-naphthalen-2-ylfluoren-9-yl]phenoxy]propan-1-ol
CID 171457350
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2,7-dimethylfluoren-9-yl]phenoxy]ethanol?
The IUPAC name of 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2,7-dimethylfluoren-9-yl]phenoxy]ethanol (CID 171457364) is 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2,7-dimethylfluoren-9-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2,7-dimethylfluoren-9-yl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2,7-dimethylfluoren-9-yl]phenoxy]ethanol is Cc1ccc2c(c1)C(c1ccc(OCCO)cc1)(c1ccc(OCCO)cc1)c1cc(C)ccc1-2.
What is the InChIKey of 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2,7-dimethylfluoren-9-yl]phenoxy]ethanol?
The InChIKey is NRHDBWLNRRBBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30O4/c1-21-3-13-27-28-14-4-22(2)20-30(28)31(29(27)19-21,23-5-9-25(10-6-23)34-17-15-32)24-7-11-26(12-8-24)35-18-16-33/h3-14,19-20,32-33H,15-18H2,1-2H3.
What are the key properties of 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2,7-dimethylfluoren-9-yl]phenoxy]ethanol?
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2,7-dimethylfluoren-9-yl]phenoxy]ethanol has a molecular weight of 466.58 g/mol, XLogP of 5.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2,7-dimethylfluoren-9-yl]phenoxy]ethanol is sourced from PubChem (CID 171457364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).