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

C17H11Br2FO — CID 79590688

IUPAC(5-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
SMILESOC(c1cc(Br)ccc1F)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H11Br2FO/c18-10-5-8-16(20)14(9-10)17(21)13-6-7-15(19)12-4-2-1-3-11(12)13/h1-9,17,21H
InChIKeyPWZRTBSVWOYCJF-UHFFFAOYSA-N
MW410.08 g/mol
LogP5.59
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol

(5-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol (PubChem CID 79590688) has the molecular formula C17H11Br2FO and a molecular weight of 410.08 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
PubChem CID79590688
Molecular FormulaC17H11Br2FO
Molecular Weight410.08 g/mol
Exact Mass407.92
IUPAC Name(5-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
SMILESOC(c1cc(Br)ccc1F)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H11Br2FO/c18-10-5-8-16(20)14(9-10)17(21)13-6-7-15(19)12-4-2-1-3-11(12)13/h1-9,17,21H
InChIKeyPWZRTBSVWOYCJF-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)-naphthalen-1-ylmethanol
CID 63894699
(4-bromonaphthalen-1-yl)-(3-bromophenyl)methanol
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(5-bromo-2-fluorophenyl)-(2-methylphenyl)methanol
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(5-bromo-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanol
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(2-bromo-6-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
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(4-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanamine
CID 79589918
(7-bromo-1-benzothiophen-3-yl)-(5-bromo-2-fluorophenyl)methanol
CID 81154055
(5-bromo-2-fluorophenyl)-(3-fluorophenyl)methanol
CID 63893368
(4-bromonaphthalen-1-yl)-(2-chloro-4-methylphenyl)methanol
CID 106862775
(4-chloronaphthalen-1-yl)-(2,4-dibromophenyl)methanol
CID 107955684
(5-bromo-2-fluorophenyl)-(4-bromo-3-methylphenyl)methanol
CID 81447497
(5-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanol
CID 81431062

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol (CID 79590688) is (5-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol is OC(c1cc(Br)ccc1F)c1ccc(Br)c2ccccc12.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol?
The InChIKey is PWZRTBSVWOYCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Br2FO/c18-10-5-8-16(20)14(9-10)17(21)13-6-7-15(19)12-4-2-1-3-11(12)13/h1-9,17,21H.
What are the key properties of (5-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol?
(5-bromo-2-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 (5-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol is sourced from PubChem (CID 79590688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).