(4-bromonaphthalen-2-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol

C19H12BrFOS — CID 67156712

IUPAC(4-bromonaphthalen-2-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
SMILESOC(c1cc(Br)c2ccccc2c1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C19H12BrFOS/c20-16-9-13(7-11-3-1-2-4-15(11)16)19(22)18-10-12-8-14(21)5-6-17(12)23-18/h1-10,19,22H
InChIKeyOGSTVXRSUFVRFO-UHFFFAOYSA-N
MW387.27 g/mol
LogP6.04
Rot. Bonds2

About (4-bromonaphthalen-2-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol

(4-bromonaphthalen-2-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol (PubChem CID 67156712) has the molecular formula C19H12BrFOS and a molecular weight of 387.27 g/mol. Its IUPAC name is (4-bromonaphthalen-2-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-bromonaphthalen-2-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
PubChem CID67156712
Molecular FormulaC19H12BrFOS
Molecular Weight387.27 g/mol
Exact Mass385.98
IUPAC Name(4-bromonaphthalen-2-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
SMILESOC(c1cc(Br)c2ccccc2c1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C19H12BrFOS/c20-16-9-13(7-11-3-1-2-4-15(11)16)19(22)18-10-12-8-14(21)5-6-17(12)23-18/h1-10,19,22H
InChIKeyOGSTVXRSUFVRFO-UHFFFAOYSA-N
XLogP6.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.27
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromonaphthalen-2-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (4-bromonaphthalen-2-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol (CID 67156712) is (4-bromonaphthalen-2-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (4-bromonaphthalen-2-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (4-bromonaphthalen-2-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol is OC(c1cc(Br)c2ccccc2c1)c1cc2cc(F)ccc2s1.
What is the InChIKey of (4-bromonaphthalen-2-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol?
The InChIKey is OGSTVXRSUFVRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrFOS/c20-16-9-13(7-11-3-1-2-4-15(11)16)19(22)18-10-12-8-14(21)5-6-17(12)23-18/h1-10,19,22H.
What are the key properties of (4-bromonaphthalen-2-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol?
(4-bromonaphthalen-2-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol has a molecular weight of 387.27 g/mol, XLogP of 6.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromonaphthalen-2-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 67156712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).