(4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)methanol

C13H11BrO — CID 131667546

IUPAC(4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)methanol
SMILES[2H]c1c([2H])c([2H])c(C(O)c2ccc(Br)cc2)c([2H])c1[2H]
InChIInChI=1S/C13H11BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H/i1D,2D,3D,4D,5D
InChIKeyWTIWDBNPPSHSCB-RALIUCGRSA-N
MW268.16 g/mol
LogP3.53
Rot. Bonds2

About (4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)methanol

(4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)methanol (PubChem CID 131667546) has the molecular formula C13H11BrO and a molecular weight of 268.16 g/mol. Its IUPAC name is (4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)methanol.

Molecular Properties

Compound Name(4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)methanol
PubChem CID131667546
Molecular FormulaC13H11BrO
Molecular Weight268.16 g/mol
Exact Mass267.03
IUPAC Name(4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)methanol
SMILES[2H]c1c([2H])c([2H])c(C(O)c2ccc(Br)cc2)c([2H])c1[2H]
InChIInChI=1S/C13H11BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H/i1D,2D,3D,4D,5D
InChIKeyWTIWDBNPPSHSCB-RALIUCGRSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(2,3,4,5,6-pentadeuteriophenyl)-phenylmethanol
CID 10261907
4-[(4-bromophenyl)-hydroxymethyl]phenol
CID 146871813
(S)-(4-bromophenyl)-phenylmethanol
CID 778571
(4-bromophenyl)-(4-chlorophenyl)methanol;ethane
CID 143569170
(S)-(4-bromophenyl)-phenylmethanol;carbon monoxide;chromium
CID 10873031
(R)-(4-bromophenyl)-(4-methylsulfanylphenyl)methanol
CID 97056034
(4-bromophenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 61100365
(1R,2R)-1,2-bis(4-bromophenyl)ethane-1,2-diol
CID 11046931
(3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol
CID 79746542
(4-bromophenyl)-(2-chlorophenyl)methanol
CID 11312546
(4-bromophenyl)-(2,6-difluorophenyl)methanol
CID 61100872
(4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol
CID 61101398

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)methanol?
The IUPAC name of (4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)methanol (CID 131667546) is (4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)methanol.
What is the SMILES notation for (4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)methanol?
The canonical SMILES for (4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)methanol is [2H]c1c([2H])c([2H])c(C(O)c2ccc(Br)cc2)c([2H])c1[2H].
What is the InChIKey of (4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)methanol?
The InChIKey is WTIWDBNPPSHSCB-RALIUCGRSA-N. The full InChI is InChI=1S/C13H11BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H/i1D,2D,3D,4D,5D.
What are the key properties of (4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)methanol?
(4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)methanol has a molecular weight of 268.16 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)methanol is sourced from PubChem (CID 131667546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).