(2-bromo-6-fluorophenyl)-naphthalen-2-ylmethanol

C17H12BrFO — CID 114885765

IUPAC(2-bromo-6-fluorophenyl)-naphthalen-2-ylmethanol
SMILESOC(c1ccc2ccccc2c1)c1c(F)cccc1Br
InChIInChI=1S/C17H12BrFO/c18-14-6-3-7-15(19)16(14)17(20)13-9-8-11-4-1-2-5-12(11)10-13/h1-10,17,20H
InChIKeyVGFPGHOWLSXMLO-UHFFFAOYSA-N
MW331.18 g/mol
LogP4.82
Rot. Bonds2

About (2-bromo-6-fluorophenyl)-naphthalen-2-ylmethanol

(2-bromo-6-fluorophenyl)-naphthalen-2-ylmethanol (PubChem CID 114885765) has the molecular formula C17H12BrFO and a molecular weight of 331.18 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-naphthalen-2-ylmethanol.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-naphthalen-2-ylmethanol
PubChem CID114885765
Molecular FormulaC17H12BrFO
Molecular Weight331.18 g/mol
Exact Mass330.01
IUPAC Name(2-bromo-6-fluorophenyl)-naphthalen-2-ylmethanol
SMILESOC(c1ccc2ccccc2c1)c1c(F)cccc1Br
InChIInChI=1S/C17H12BrFO/c18-14-6-3-7-15(19)16(14)17(20)13-9-8-11-4-1-2-5-12(11)10-13/h1-10,17,20H
InChIKeyVGFPGHOWLSXMLO-UHFFFAOYSA-N
XLogP4.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-6-fluorophenyl)-quinolin-7-ylmethanol
CID 114885774
(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methanol
CID 114560429
(2-bromo-6-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 114560510
1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanol
CID 114885782
(4-bromo-2-fluorophenyl)-naphthalen-2-ylmethanol
CID 63894323
(2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 114560436
(2-bromo-6-fluorophenyl)-(furan-3-yl)methanol
CID 114885706
(2-bromo-6-fluorophenyl)-thiophen-3-ylmethanol
CID 114885783
(4-bromophenyl)-(2,6-difluorophenyl)methanol
CID 61100872
(2,4-difluorophenyl)-naphthalen-2-ylmethanol
CID 61087912
(5-chloro-2-fluorophenyl)-naphthalen-2-ylmethanol
CID 114853062
(2-bromo-6-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
CID 114560508

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-naphthalen-2-ylmethanol?
The IUPAC name of (2-bromo-6-fluorophenyl)-naphthalen-2-ylmethanol (CID 114885765) is (2-bromo-6-fluorophenyl)-naphthalen-2-ylmethanol.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-naphthalen-2-ylmethanol?
The canonical SMILES for (2-bromo-6-fluorophenyl)-naphthalen-2-ylmethanol is OC(c1ccc2ccccc2c1)c1c(F)cccc1Br.
What is the InChIKey of (2-bromo-6-fluorophenyl)-naphthalen-2-ylmethanol?
The InChIKey is VGFPGHOWLSXMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFO/c18-14-6-3-7-15(19)16(14)17(20)13-9-8-11-4-1-2-5-12(11)10-13/h1-10,17,20H.
What are the key properties of (2-bromo-6-fluorophenyl)-naphthalen-2-ylmethanol?
(2-bromo-6-fluorophenyl)-naphthalen-2-ylmethanol has a molecular weight of 331.18 g/mol, XLogP of 4.82, 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)-naphthalen-2-ylmethanol is sourced from PubChem (CID 114885765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).