2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-9H-fluoren-2-yl]phenol

C29H26O2 — CID 141135954

IUPAC2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-9H-fluoren-2-yl]phenol
SMILESCCc1cc(-c2ccc3c(c2-c2ccc(O)c(CC)c2)Cc2ccccc2-3)ccc1O
InChIInChI=1S/C29H26O2/c1-3-18-15-21(9-13-27(18)30)24-11-12-25-23-8-6-5-7-20(23)17-26(25)29(24)22-10-14-28(31)19(4-2)16-22/h5-16,30-31H,3-4,17H2,1-2H3
InChIKeyXCIZDMWWICZWIR-UHFFFAOYSA-N
MW406.53 g/mol
LogP7.13
Rot. Bonds4

About 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-9H-fluoren-2-yl]phenol

2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-9H-fluoren-2-yl]phenol (PubChem CID 141135954) has the molecular formula C29H26O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-9H-fluoren-2-yl]phenol.

Molecular Properties

Compound Name2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-9H-fluoren-2-yl]phenol
PubChem CID141135954
Molecular FormulaC29H26O2
Molecular Weight406.53 g/mol
Exact Mass406.19
IUPAC Name2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-9H-fluoren-2-yl]phenol
SMILESCCc1cc(-c2ccc3c(c2-c2ccc(O)c(CC)c2)Cc2ccccc2-3)ccc1O
InChIInChI=1S/C29H26O2/c1-3-18-15-21(9-13-27(18)30)24-11-12-25-23-8-6-5-7-20(23)17-26(25)29(24)22-10-14-28(31)19(4-2)16-22/h5-16,30-31H,3-4,17H2,1-2H3
InChIKeyXCIZDMWWICZWIR-UHFFFAOYSA-N
XLogP7.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-9H-fluoren-2-yl]phenol?
The IUPAC name of 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-9H-fluoren-2-yl]phenol (CID 141135954) is 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-9H-fluoren-2-yl]phenol.
What is the SMILES notation for 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-9H-fluoren-2-yl]phenol?
The canonical SMILES for 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-9H-fluoren-2-yl]phenol is CCc1cc(-c2ccc3c(c2-c2ccc(O)c(CC)c2)Cc2ccccc2-3)ccc1O.
What is the InChIKey of 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-9H-fluoren-2-yl]phenol?
The InChIKey is XCIZDMWWICZWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O2/c1-3-18-15-21(9-13-27(18)30)24-11-12-25-23-8-6-5-7-20(23)17-26(25)29(24)22-10-14-28(31)19(4-2)16-22/h5-16,30-31H,3-4,17H2,1-2H3.
What are the key properties of 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-9H-fluoren-2-yl]phenol?
2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-9H-fluoren-2-yl]phenol has a molecular weight of 406.53 g/mol, XLogP of 7.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-9H-fluoren-2-yl]phenol is sourced from PubChem (CID 141135954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).