5-(3,4-difluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

C17H16F2O — CID 62800863

IUPAC5-(3,4-difluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESOC1(c2ccc(F)c(F)c2)CCCCc2ccccc21
InChIInChI=1S/C17H16F2O/c18-15-9-8-13(11-16(15)19)17(20)10-4-3-6-12-5-1-2-7-14(12)17/h1-2,5,7-9,11,20H,3-4,6,10H2
InChIKeyUTRSZRCNJAZNQM-UHFFFAOYSA-N
MW274.31 g/mol
LogP3.93
Rot. Bonds1

About 5-(3,4-difluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

5-(3,4-difluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (PubChem CID 62800863) has the molecular formula C17H16F2O and a molecular weight of 274.31 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
PubChem CID62800863
Molecular FormulaC17H16F2O
Molecular Weight274.31 g/mol
Exact Mass274.12
IUPAC Name5-(3,4-difluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESOC1(c2ccc(F)c(F)c2)CCCCc2ccccc21
InChIInChI=1S/C17H16F2O/c18-15-9-8-13(11-16(15)19)17(20)10-4-3-6-12-5-1-2-7-14(12)17/h1-2,5,7-9,11,20H,3-4,6,10H2
InChIKeyUTRSZRCNJAZNQM-UHFFFAOYSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The IUPAC name of 5-(3,4-difluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (CID 62800863) is 5-(3,4-difluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.
What is the SMILES notation for 5-(3,4-difluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The canonical SMILES for 5-(3,4-difluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is OC1(c2ccc(F)c(F)c2)CCCCc2ccccc21.
What is the InChIKey of 5-(3,4-difluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The InChIKey is UTRSZRCNJAZNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O/c18-15-9-8-13(11-16(15)19)17(20)10-4-3-6-12-5-1-2-7-14(12)17/h1-2,5,7-9,11,20H,3-4,6,10H2.
What are the key properties of 5-(3,4-difluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
5-(3,4-difluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol has a molecular weight of 274.31 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is sourced from PubChem (CID 62800863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).