2-fluoro-6-[5-(4-hydroxyphenyl)-2-methyl-8,9-dihydro-7H-benzo[7]annulen-6-yl]phenol

C24H21FO2 — CID 156716310

IUPAC2-fluoro-6-[5-(4-hydroxyphenyl)-2-methyl-8,9-dihydro-7H-benzo[7]annulen-6-yl]phenol
SMILESCc1ccc2c(c1)CCCC(c1cccc(F)c1O)=C2c1ccc(O)cc1
InChIInChI=1S/C24H21FO2/c1-15-8-13-19-17(14-15)4-2-5-20(21-6-3-7-22(25)24(21)27)23(19)16-9-11-18(26)12-10-16/h3,6-14,26-27H,2,4-5H2,1H3
InChIKeyMBMIBEUYPUVIBR-UHFFFAOYSA-N
MW360.43 g/mol
LogP5.84
Rot. Bonds2

About 2-fluoro-6-[5-(4-hydroxyphenyl)-2-methyl-8,9-dihydro-7H-benzo[7]annulen-6-yl]phenol

2-fluoro-6-[5-(4-hydroxyphenyl)-2-methyl-8,9-dihydro-7H-benzo[7]annulen-6-yl]phenol (PubChem CID 156716310) has the molecular formula C24H21FO2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 2-fluoro-6-[5-(4-hydroxyphenyl)-2-methyl-8,9-dihydro-7H-benzo[7]annulen-6-yl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[5-(4-hydroxyphenyl)-2-methyl-8,9-dihydro-7H-benzo[7]annulen-6-yl]phenol
PubChem CID156716310
Molecular FormulaC24H21FO2
Molecular Weight360.43 g/mol
Exact Mass360.15
IUPAC Name2-fluoro-6-[5-(4-hydroxyphenyl)-2-methyl-8,9-dihydro-7H-benzo[7]annulen-6-yl]phenol
SMILESCc1ccc2c(c1)CCCC(c1cccc(F)c1O)=C2c1ccc(O)cc1
InChIInChI=1S/C24H21FO2/c1-15-8-13-19-17(14-15)4-2-5-20(21-6-3-7-22(25)24(21)27)23(19)16-9-11-18(26)12-10-16/h3,6-14,26-27H,2,4-5H2,1H3
InChIKeyMBMIBEUYPUVIBR-UHFFFAOYSA-N
XLogP5.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.43
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[5-(4-hydroxyphenyl)-2-methyl-8,9-dihydro-7H-benzo[7]annulen-6-yl]phenol?
The IUPAC name of 2-fluoro-6-[5-(4-hydroxyphenyl)-2-methyl-8,9-dihydro-7H-benzo[7]annulen-6-yl]phenol (CID 156716310) is 2-fluoro-6-[5-(4-hydroxyphenyl)-2-methyl-8,9-dihydro-7H-benzo[7]annulen-6-yl]phenol.
What is the SMILES notation for 2-fluoro-6-[5-(4-hydroxyphenyl)-2-methyl-8,9-dihydro-7H-benzo[7]annulen-6-yl]phenol?
The canonical SMILES for 2-fluoro-6-[5-(4-hydroxyphenyl)-2-methyl-8,9-dihydro-7H-benzo[7]annulen-6-yl]phenol is Cc1ccc2c(c1)CCCC(c1cccc(F)c1O)=C2c1ccc(O)cc1.
What is the InChIKey of 2-fluoro-6-[5-(4-hydroxyphenyl)-2-methyl-8,9-dihydro-7H-benzo[7]annulen-6-yl]phenol?
The InChIKey is MBMIBEUYPUVIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FO2/c1-15-8-13-19-17(14-15)4-2-5-20(21-6-3-7-22(25)24(21)27)23(19)16-9-11-18(26)12-10-16/h3,6-14,26-27H,2,4-5H2,1H3.
What are the key properties of 2-fluoro-6-[5-(4-hydroxyphenyl)-2-methyl-8,9-dihydro-7H-benzo[7]annulen-6-yl]phenol?
2-fluoro-6-[5-(4-hydroxyphenyl)-2-methyl-8,9-dihydro-7H-benzo[7]annulen-6-yl]phenol has a molecular weight of 360.43 g/mol, XLogP of 5.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[5-(4-hydroxyphenyl)-2-methyl-8,9-dihydro-7H-benzo[7]annulen-6-yl]phenol is sourced from PubChem (CID 156716310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).