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

C14H12Br2O3 — CID 79403220

IUPAC[4-(2,5-dibromo-4-methoxyphenoxy)phenyl]methanol
SMILESCOc1cc(Br)c(Oc2ccc(CO)cc2)cc1Br
InChIInChI=1S/C14H12Br2O3/c1-18-13-6-12(16)14(7-11(13)15)19-10-4-2-9(8-17)3-5-10/h2-7,17H,8H2,1H3
InChIKeyROFHVRDRAUACTF-UHFFFAOYSA-N
MW388.06 g/mol
LogP4.50
Rot. Bonds4

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

[4-(2,5-dibromo-4-methoxyphenoxy)phenyl]methanol (PubChem CID 79403220) has the molecular formula C14H12Br2O3 and a molecular weight of 388.06 g/mol. Its IUPAC name is [4-(2,5-dibromo-4-methoxyphenoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-(2,5-dibromo-4-methoxyphenoxy)phenyl]methanol
PubChem CID79403220
Molecular FormulaC14H12Br2O3
Molecular Weight388.06 g/mol
Exact Mass385.92
IUPAC Name[4-(2,5-dibromo-4-methoxyphenoxy)phenyl]methanol
SMILESCOc1cc(Br)c(Oc2ccc(CO)cc2)cc1Br
InChIInChI=1S/C14H12Br2O3/c1-18-13-6-12(16)14(7-11(13)15)19-10-4-2-9(8-17)3-5-10/h2-7,17H,8H2,1H3
InChIKeyROFHVRDRAUACTF-UHFFFAOYSA-N
XLogP4.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.06
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methoxyphenoxy)phenyl]methanol
CID 28946116
[4-(2,4-dibromophenoxy)phenyl]methanol
CID 64720453
4-(2,5-dibromo-4-methoxyphenoxy)-N,N-dimethylaniline
CID 59165138
(4-methoxyphenyl)methanol
CID 7738
[4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol
CID 78938273
[4-(4-bromophenoxy)phenyl]methanol
CID 28946070
[4-[2-bromo-4-(trifluoromethyl)phenoxy]phenyl]methanol
CID 115512002
[3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol
CID 642903
1-[2-amino-5-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanone
CID 104613341
5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarbothioamide
CID 114892255
[4-[[4-[[4-(hydroxymethyl)phenoxy]methyl]-2,5-dimethoxyphenyl]methoxy]phenyl]methanol
CID 101236139
1,4-dibromo-2-[4-(bromomethyl)-2-chlorophenoxy]-5-methoxybenzene
CID 107088808

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dibromo-4-methoxyphenoxy)phenyl]methanol?
The IUPAC name of [4-(2,5-dibromo-4-methoxyphenoxy)phenyl]methanol (CID 79403220) is [4-(2,5-dibromo-4-methoxyphenoxy)phenyl]methanol.
What is the SMILES notation for [4-(2,5-dibromo-4-methoxyphenoxy)phenyl]methanol?
The canonical SMILES for [4-(2,5-dibromo-4-methoxyphenoxy)phenyl]methanol is COc1cc(Br)c(Oc2ccc(CO)cc2)cc1Br.
What is the InChIKey of [4-(2,5-dibromo-4-methoxyphenoxy)phenyl]methanol?
The InChIKey is ROFHVRDRAUACTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2O3/c1-18-13-6-12(16)14(7-11(13)15)19-10-4-2-9(8-17)3-5-10/h2-7,17H,8H2,1H3.
What are the key properties of [4-(2,5-dibromo-4-methoxyphenoxy)phenyl]methanol?
[4-(2,5-dibromo-4-methoxyphenoxy)phenyl]methanol has a molecular weight of 388.06 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dibromo-4-methoxyphenoxy)phenyl]methanol is sourced from PubChem (CID 79403220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).