5-[(5-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

C18H18BrFO — CID 65147148

IUPAC5-[(5-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESOC1(Cc2cc(Br)ccc2F)CCCCc2ccccc21
InChIInChI=1S/C18H18BrFO/c19-15-8-9-17(20)14(11-15)12-18(21)10-4-3-6-13-5-1-2-7-16(13)18/h1-2,5,7-9,11,21H,3-4,6,10,12H2
InChIKeyXFDZNCNJQBZOES-UHFFFAOYSA-N
MW349.24 g/mol
LogP4.74
Rot. Bonds2

About 5-[(5-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

5-[(5-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (PubChem CID 65147148) has the molecular formula C18H18BrFO and a molecular weight of 349.24 g/mol. Its IUPAC name is 5-[(5-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.

Molecular Properties

Compound Name5-[(5-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
PubChem CID65147148
Molecular FormulaC18H18BrFO
Molecular Weight349.24 g/mol
Exact Mass348.05
IUPAC Name5-[(5-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESOC1(Cc2cc(Br)ccc2F)CCCCc2ccccc21
InChIInChI=1S/C18H18BrFO/c19-15-8-9-17(20)14(11-15)12-18(21)10-4-3-6-13-5-1-2-7-16(13)18/h1-2,5,7-9,11,21H,3-4,6,10,12H2
InChIKeyXFDZNCNJQBZOES-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(5-bromo-2-pyridinyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 104801482
5-[(2-chlorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 60799204
5-[(4-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 63407465
1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65147295
5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 43809316
5-[(5-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 103047824
5-(furan-2-ylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 83173134
1-[(4-bromo-2-fluorophenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol
CID 79371802
5-(3,4-difluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 62800863
1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 11084449
5-but-3-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 63656307
1-[(5-bromo-2-fluorophenyl)methyl]cyclooctane-1-carbonitrile
CID 80601577

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The IUPAC name of 5-[(5-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (CID 65147148) is 5-[(5-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.
What is the SMILES notation for 5-[(5-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The canonical SMILES for 5-[(5-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is OC1(Cc2cc(Br)ccc2F)CCCCc2ccccc21.
What is the InChIKey of 5-[(5-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The InChIKey is XFDZNCNJQBZOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFO/c19-15-8-9-17(20)14(11-15)12-18(21)10-4-3-6-13-5-1-2-7-16(13)18/h1-2,5,7-9,11,21H,3-4,6,10,12H2.
What are the key properties of 5-[(5-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
5-[(5-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol has a molecular weight of 349.24 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is sourced from PubChem (CID 65147148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).