[3,5-dibromo-2-[(3-methylphenyl)methoxy]phenyl]methanol

C15H14Br2O2 — CID 132591526

IUPAC[3,5-dibromo-2-[(3-methylphenyl)methoxy]phenyl]methanol
SMILESCc1cccc(COc2c(Br)cc(Br)cc2CO)c1
InChIInChI=1S/C15H14Br2O2/c1-10-3-2-4-11(5-10)9-19-15-12(8-18)6-13(16)7-14(15)17/h2-7,18H,8-9H2,1H3
InChIKeyDJGIPJXRDFOASP-UHFFFAOYSA-N
MW386.08 g/mol
LogP4.59
Rot. Bonds4

About [3,5-dibromo-2-[(3-methylphenyl)methoxy]phenyl]methanol

[3,5-dibromo-2-[(3-methylphenyl)methoxy]phenyl]methanol (PubChem CID 132591526) has the molecular formula C15H14Br2O2 and a molecular weight of 386.08 g/mol. Its IUPAC name is [3,5-dibromo-2-[(3-methylphenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-dibromo-2-[(3-methylphenyl)methoxy]phenyl]methanol
PubChem CID132591526
Molecular FormulaC15H14Br2O2
Molecular Weight386.08 g/mol
Exact Mass383.94
IUPAC Name[3,5-dibromo-2-[(3-methylphenyl)methoxy]phenyl]methanol
SMILESCc1cccc(COc2c(Br)cc(Br)cc2CO)c1
InChIInChI=1S/C15H14Br2O2/c1-10-3-2-4-11(5-10)9-19-15-12(8-18)6-13(16)7-14(15)17/h2-7,18H,8-9H2,1H3
InChIKeyDJGIPJXRDFOASP-UHFFFAOYSA-N
XLogP4.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.08
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(4-aminophenyl)methoxy]-3,5-dibromophenyl]methanol
CID 132591522
1-[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741925
N-[[3,5-dibromo-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126142554
3-[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]propanoic acid
CID 10113366
1-bromo-3-methyl-5-[(3-methylphenyl)methoxy]benzene
CID 164573942
3-bromo-5-chloro-2-[(3-methylphenyl)methoxy]aniline
CID 43379204
N-[[3-bromo-2-[(3-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 63499383
[5-bromo-2-[(4-chlorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621102
[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621009
5-bromo-3-methyl-2-[(3-methylphenyl)methoxy]benzenesulfonyl chloride
CID 63216758
[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methanamine
CID 43626842
3-[3-bromo-2-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 76997960

Frequently Asked Questions

What is the IUPAC name of [3,5-dibromo-2-[(3-methylphenyl)methoxy]phenyl]methanol?
The IUPAC name of [3,5-dibromo-2-[(3-methylphenyl)methoxy]phenyl]methanol (CID 132591526) is [3,5-dibromo-2-[(3-methylphenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [3,5-dibromo-2-[(3-methylphenyl)methoxy]phenyl]methanol?
The canonical SMILES for [3,5-dibromo-2-[(3-methylphenyl)methoxy]phenyl]methanol is Cc1cccc(COc2c(Br)cc(Br)cc2CO)c1.
What is the InChIKey of [3,5-dibromo-2-[(3-methylphenyl)methoxy]phenyl]methanol?
The InChIKey is DJGIPJXRDFOASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2O2/c1-10-3-2-4-11(5-10)9-19-15-12(8-18)6-13(16)7-14(15)17/h2-7,18H,8-9H2,1H3.
What are the key properties of [3,5-dibromo-2-[(3-methylphenyl)methoxy]phenyl]methanol?
[3,5-dibromo-2-[(3-methylphenyl)methoxy]phenyl]methanol has a molecular weight of 386.08 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dibromo-2-[(3-methylphenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 132591526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).