[3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol

C15H14Br2O2 — CID 107739120

IUPAC[3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol
SMILESOCc1cc(Br)c(OCCc2ccccc2)c(Br)c1
InChIInChI=1S/C15H14Br2O2/c16-13-8-12(10-18)9-14(17)15(13)19-7-6-11-4-2-1-3-5-11/h1-5,8-9,18H,6-7,10H2
InChIKeyQHNCHVSBYYNLAC-UHFFFAOYSA-N
MW386.08 g/mol
LogP4.33
Rot. Bonds5

About [3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol

[3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol (PubChem CID 107739120) has the molecular formula C15H14Br2O2 and a molecular weight of 386.08 g/mol. Its IUPAC name is [3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol
PubChem CID107739120
Molecular FormulaC15H14Br2O2
Molecular Weight386.08 g/mol
Exact Mass383.94
IUPAC Name[3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol
SMILESOCc1cc(Br)c(OCCc2ccccc2)c(Br)c1
InChIInChI=1S/C15H14Br2O2/c16-13-8-12(10-18)9-14(17)15(13)19-7-6-11-4-2-1-3-5-11/h1-5,8-9,18H,6-7,10H2
InChIKeyQHNCHVSBYYNLAC-UHFFFAOYSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.08
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-4-(2-phenylethoxy)phenyl]methanol
CID 63050620
[3,5-dibromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanol
CID 107738736
[3-bromo-2-(2-phenylethoxy)phenyl]methanol
CID 61391567
[3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol
CID 43516716
1-bromo-5-(bromomethyl)-3-methoxy-2-(2-phenylethoxy)benzene
CID 43622757
[3-bromo-4-(3-phenylpropoxy)phenyl]methanol
CID 63051637
[3-bromo-4,5-bis(phenylmethoxy)phenyl]methanol
CID 10431016
(3,5-dibromo-4-butoxyphenyl)methanol
CID 107738793
[3-bromo-4-(4-phenylbutoxy)phenyl]methanol
CID 114333931
[5-bromo-3-methyl-2-(2-phenylethoxy)phenyl]methanol
CID 112621072
[3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 107739097
[3-bromo-5-methoxy-4-(2-phenylethoxy)phenyl]methanamine
CID 43622210

Frequently Asked Questions

What is the IUPAC name of [3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol?
The IUPAC name of [3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol (CID 107739120) is [3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol.
What is the SMILES notation for [3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol?
The canonical SMILES for [3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol is OCc1cc(Br)c(OCCc2ccccc2)c(Br)c1.
What is the InChIKey of [3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol?
The InChIKey is QHNCHVSBYYNLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2O2/c16-13-8-12(10-18)9-14(17)15(13)19-7-6-11-4-2-1-3-5-11/h1-5,8-9,18H,6-7,10H2.
What are the key properties of [3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol?
[3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol has a molecular weight of 386.08 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol is sourced from PubChem (CID 107739120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).