1-bromo-3-fluoro-5-phenylmethoxybenzene;phenylmethanol

C20H18BrFO2 — CID 70121150

IUPAC1-bromo-3-fluoro-5-phenylmethoxybenzene;phenylmethanol
SMILESFc1cc(Br)cc(OCc2ccccc2)c1.OCc1ccccc1
InChIInChI=1S/C13H10BrFO.C7H8O/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10;8-6-7-4-2-1-3-5-7/h1-8H,9H2;1-5,8H,6H2
InChIKeyIMLAJXRPXFHQQG-UHFFFAOYSA-N
MW389.26 g/mol
LogP5.35
Rot. Bonds4

About 1-bromo-3-fluoro-5-phenylmethoxybenzene;phenylmethanol

1-bromo-3-fluoro-5-phenylmethoxybenzene;phenylmethanol (PubChem CID 70121150) has the molecular formula C20H18BrFO2 and a molecular weight of 389.26 g/mol. Its IUPAC name is 1-bromo-3-fluoro-5-phenylmethoxybenzene;phenylmethanol.

Molecular Properties

Compound Name1-bromo-3-fluoro-5-phenylmethoxybenzene;phenylmethanol
PubChem CID70121150
Molecular FormulaC20H18BrFO2
Molecular Weight389.26 g/mol
Exact Mass388.05
IUPAC Name1-bromo-3-fluoro-5-phenylmethoxybenzene;phenylmethanol
SMILESFc1cc(Br)cc(OCc2ccccc2)c1.OCc1ccccc1
InChIInChI=1S/C13H10BrFO.C7H8O/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10;8-6-7-4-2-1-3-5-7/h1-8H,9H2;1-5,8H,6H2
InChIKeyIMLAJXRPXFHQQG-UHFFFAOYSA-N
XLogP5.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.26
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-[(4-ethylphenyl)methoxy]-5-fluorobenzene
CID 81332352
2-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460808
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
[3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanol
CID 102939888
3-fluoro-5-phenylmethoxybenzoic acid
CID 18971714
1-bromo-3-phenylmethoxy-5-(trifluoromethoxy)benzene
CID 53216974
3-[(3-bromo-5-fluorophenoxy)methyl]benzenecarboximidamide
CID 81331398
1-fluoro-3-(methoxymethyl)-5-phenylmethoxybenzene
CID 118070659
1-[(3-bromo-5-fluorophenoxy)methyl]naphthalene
CID 81331619
3-fluoro-5-phenylmethoxybenzamide
CID 155798135
2-(3-bromo-5-fluorophenoxy)-1-phenylethanone
CID 81332556
ethane;3-fluoro-5-phenylmethoxybenzoic acid
CID 144722944

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluoro-5-phenylmethoxybenzene;phenylmethanol?
The IUPAC name of 1-bromo-3-fluoro-5-phenylmethoxybenzene;phenylmethanol (CID 70121150) is 1-bromo-3-fluoro-5-phenylmethoxybenzene;phenylmethanol.
What is the SMILES notation for 1-bromo-3-fluoro-5-phenylmethoxybenzene;phenylmethanol?
The canonical SMILES for 1-bromo-3-fluoro-5-phenylmethoxybenzene;phenylmethanol is Fc1cc(Br)cc(OCc2ccccc2)c1.OCc1ccccc1.
What is the InChIKey of 1-bromo-3-fluoro-5-phenylmethoxybenzene;phenylmethanol?
The InChIKey is IMLAJXRPXFHQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFO.C7H8O/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10;8-6-7-4-2-1-3-5-7/h1-8H,9H2;1-5,8H,6H2.
What are the key properties of 1-bromo-3-fluoro-5-phenylmethoxybenzene;phenylmethanol?
1-bromo-3-fluoro-5-phenylmethoxybenzene;phenylmethanol has a molecular weight of 389.26 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-fluoro-5-phenylmethoxybenzene;phenylmethanol is sourced from PubChem (CID 70121150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).