(2-bromo-6-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol

C17H11Br2FO — CID 114560508

IUPAC(2-bromo-6-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
SMILESOC(c1c(F)cccc1Br)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H11Br2FO/c18-13-9-8-12(10-4-1-2-5-11(10)13)17(21)16-14(19)6-3-7-15(16)20/h1-9,17,21H
InChIKeyVVQVFSFCPGRHFM-UHFFFAOYSA-N
MW410.08 g/mol
LogP5.59
Rot. Bonds2

About (2-bromo-6-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol

(2-bromo-6-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol (PubChem CID 114560508) has the molecular formula C17H11Br2FO and a molecular weight of 410.08 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
PubChem CID114560508
Molecular FormulaC17H11Br2FO
Molecular Weight410.08 g/mol
Exact Mass407.92
IUPAC Name(2-bromo-6-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
SMILESOC(c1c(F)cccc1Br)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H11Br2FO/c18-13-9-8-12(10-4-1-2-5-11(10)13)17(21)16-14(19)6-3-7-15(16)20/h1-9,17,21H
InChIKeyVVQVFSFCPGRHFM-UHFFFAOYSA-N
XLogP5.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.08
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
CID 79590688
(2-bromo-6-fluorophenyl)-(4-bromothiophen-3-yl)methanol
CID 114885677
(2-bromo-6-fluorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 114885764
(2-bromo-6-fluorophenyl)-(2-fluoro-5-methylphenyl)methanol
CID 114885762
(4-bromonaphthalen-1-yl)-(3-bromophenyl)methanol
CID 79597081
(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanol
CID 79590685
(2-bromo-6-fluorophenyl)-thiophen-3-ylmethanol
CID 114885783
1-(4-bromonaphthalen-1-yl)propan-1-ol
CID 79597638
1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
(4-amino-3-pyridinyl)-(2-bromo-6-fluorophenyl)methanol
CID 114885595
(2-bromo-6-fluorophenyl)-naphthalen-2-ylmethanol
CID 114885765
1-(2-bromo-6-fluorophenyl)ethanol;ethane
CID 166081961

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol?
The IUPAC name of (2-bromo-6-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol (CID 114560508) is (2-bromo-6-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol is OC(c1c(F)cccc1Br)c1ccc(Br)c2ccccc12.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol?
The InChIKey is VVQVFSFCPGRHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Br2FO/c18-13-9-8-12(10-4-1-2-5-11(10)13)17(21)16-14(19)6-3-7-15(16)20/h1-9,17,21H.
What are the key properties of (2-bromo-6-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol?
(2-bromo-6-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol has a molecular weight of 410.08 g/mol, XLogP of 5.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol is sourced from PubChem (CID 114560508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).