2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethanol

C22H20O2 — CID 66730243

IUPAC2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethanol
SMILESCc1cc(-c2cccc3c2Cc2ccccc2-3)ccc1OCCO
InChIInChI=1S/C22H20O2/c1-15-13-17(9-10-22(15)24-12-11-23)19-7-4-8-20-18-6-3-2-5-16(18)14-21(19)20/h2-10,13,23H,11-12,14H2,1H3
InChIKeyHCAUPHOHHNOCLW-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.60
Rot. Bonds4

About 2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethanol

2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethanol (PubChem CID 66730243) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethanol.

Molecular Properties

Compound Name2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethanol
PubChem CID66730243
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethanol
SMILESCc1cc(-c2cccc3c2Cc2ccccc2-3)ccc1OCCO
InChIInChI=1S/C22H20O2/c1-15-13-17(9-10-22(15)24-12-11-23)19-7-4-8-20-18-6-3-2-5-16(18)14-21(19)20/h2-10,13,23H,11-12,14H2,1H3
InChIKeyHCAUPHOHHNOCLW-UHFFFAOYSA-N
XLogP4.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethanol?
The IUPAC name of 2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethanol (CID 66730243) is 2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethanol.
What is the SMILES notation for 2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethanol?
The canonical SMILES for 2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethanol is Cc1cc(-c2cccc3c2Cc2ccccc2-3)ccc1OCCO.
What is the InChIKey of 2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethanol?
The InChIKey is HCAUPHOHHNOCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c1-15-13-17(9-10-22(15)24-12-11-23)19-7-4-8-20-18-6-3-2-5-16(18)14-21(19)20/h2-10,13,23H,11-12,14H2,1H3.
What are the key properties of 2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethanol?
2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethanol has a molecular weight of 316.40 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethanol is sourced from PubChem (CID 66730243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).