(5-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanol

C18H14BrFO — CID 81431062

IUPAC(5-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanol
SMILESCc1ccc2ccccc2c1C(O)c1cc(Br)ccc1F
InChIInChI=1S/C18H14BrFO/c1-11-6-7-12-4-2-3-5-14(12)17(11)18(21)15-10-13(19)8-9-16(15)20/h2-10,18,21H,1H3
InChIKeyTWLOMEQZNLLPLN-UHFFFAOYSA-N
MW345.21 g/mol
LogP5.13
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanol

(5-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanol (PubChem CID 81431062) has the molecular formula C18H14BrFO and a molecular weight of 345.21 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanol
PubChem CID81431062
Molecular FormulaC18H14BrFO
Molecular Weight345.21 g/mol
Exact Mass344.02
IUPAC Name(5-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanol
SMILESCc1ccc2ccccc2c1C(O)c1cc(Br)ccc1F
InChIInChI=1S/C18H14BrFO/c1-11-6-7-12-4-2-3-5-14(12)17(11)18(21)15-10-13(19)8-9-16(15)20/h2-10,18,21H,1H3
InChIKeyTWLOMEQZNLLPLN-UHFFFAOYSA-N
XLogP5.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.21
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-fluorophenyl)-naphthalen-1-ylmethanol
CID 63894699
(S)-(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanol
CID 99714820
(5-bromo-2-fluorophenyl)-(2-methylphenyl)methanol
CID 63894128
(R)-(4-amino-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanol
CID 100804222
1-[bromo-(2,3-difluorophenyl)methyl]-2-methylnaphthalene
CID 81430617
(5-bromo-2-fluorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 64985386
(5-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
CID 79590688
1-[bromo-(5-chloro-2-methylphenyl)methyl]-2-methylnaphthalene
CID 82874592
1-[bromo-(4-bromo-3-fluorophenyl)methyl]-2-methylnaphthalene
CID 81430765
(5-bromo-2-fluorophenyl)-(4-bromo-3-methylphenyl)methanol
CID 81447497
1-(2-methylnaphthalen-1-yl)propan-1-ol
CID 80502673
(5-bromo-2-fluorophenyl)-(2-chloro-6-fluorophenyl)methanol
CID 79743340

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanol (CID 81431062) is (5-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanol is Cc1ccc2ccccc2c1C(O)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanol?
The InChIKey is TWLOMEQZNLLPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrFO/c1-11-6-7-12-4-2-3-5-14(12)17(11)18(21)15-10-13(19)8-9-16(15)20/h2-10,18,21H,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanol?
(5-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanol has a molecular weight of 345.21 g/mol, XLogP of 5.13, 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)-(2-methylnaphthalen-1-yl)methanol is sourced from PubChem (CID 81431062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).