3-(2-ethoxyethoxy)-2-(9H-fluoren-4-yl)phenol

C23H22O3 — CID 172727480

IUPAC3-(2-ethoxyethoxy)-2-(9H-fluoren-4-yl)phenol
SMILESCCOCCOc1cccc(O)c1-c1cccc2c1-c1ccccc1C2
InChIInChI=1S/C23H22O3/c1-2-25-13-14-26-21-12-6-11-20(24)23(21)19-10-5-8-17-15-16-7-3-4-9-18(16)22(17)19/h3-12,24H,2,13-15H2,1H3
InChIKeyHIKISBCRNHZSRX-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.05
Rot. Bonds6

About 3-(2-ethoxyethoxy)-2-(9H-fluoren-4-yl)phenol

3-(2-ethoxyethoxy)-2-(9H-fluoren-4-yl)phenol (PubChem CID 172727480) has the molecular formula C23H22O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-2-(9H-fluoren-4-yl)phenol.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-2-(9H-fluoren-4-yl)phenol
PubChem CID172727480
Molecular FormulaC23H22O3
Molecular Weight346.43 g/mol
Exact Mass346.16
IUPAC Name3-(2-ethoxyethoxy)-2-(9H-fluoren-4-yl)phenol
SMILESCCOCCOc1cccc(O)c1-c1cccc2c1-c1ccccc1C2
InChIInChI=1S/C23H22O3/c1-2-25-13-14-26-21-12-6-11-20(24)23(21)19-10-5-8-17-15-16-7-3-4-9-18(16)22(17)19/h3-12,24H,2,13-15H2,1H3
InChIKeyHIKISBCRNHZSRX-UHFFFAOYSA-N
XLogP5.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-propoxy-10H-anthracen-9-one
CID 70009381
25,26,27,28-tetrakis(2-ethoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
CID 10484972
1-(2-ethoxyethoxy)-2-methoxybenzene
CID 57249631
2-[2-[2-(2-hydroxyphenoxy)ethoxy]ethoxy]phenol;methanol
CID 139058411
2-[2-(9H-fluoren-4-yl)-6-propan-2-ylphenoxy]ethanol
CID 172739883
2-[2-(9H-fluoren-4-yl)-6-methylphenoxy]ethanol
CID 151946123
2-phenyl-3-propoxyphenol
CID 155695054
2-[2-[5-(2-ethoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
CID 144738763
1-(2-ethoxyethoxy)-2-pent-1-en-2-ylbenzene
CID 139905492
[2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide
CID 63676800
9H-fluoren-4-ylboronic acid
CID 68786516
4-propoxy-10H-anthracen-9-one
CID 102119580

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)-2-(9H-fluoren-4-yl)phenol?
The IUPAC name of 3-(2-ethoxyethoxy)-2-(9H-fluoren-4-yl)phenol (CID 172727480) is 3-(2-ethoxyethoxy)-2-(9H-fluoren-4-yl)phenol.
What is the SMILES notation for 3-(2-ethoxyethoxy)-2-(9H-fluoren-4-yl)phenol?
The canonical SMILES for 3-(2-ethoxyethoxy)-2-(9H-fluoren-4-yl)phenol is CCOCCOc1cccc(O)c1-c1cccc2c1-c1ccccc1C2.
What is the InChIKey of 3-(2-ethoxyethoxy)-2-(9H-fluoren-4-yl)phenol?
The InChIKey is HIKISBCRNHZSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O3/c1-2-25-13-14-26-21-12-6-11-20(24)23(21)19-10-5-8-17-15-16-7-3-4-9-18(16)22(17)19/h3-12,24H,2,13-15H2,1H3.
What are the key properties of 3-(2-ethoxyethoxy)-2-(9H-fluoren-4-yl)phenol?
3-(2-ethoxyethoxy)-2-(9H-fluoren-4-yl)phenol has a molecular weight of 346.43 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-2-(9H-fluoren-4-yl)phenol is sourced from PubChem (CID 172727480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).