(R)-(2,3,4,5,6-pentadeuteriophenyl)-phenylmethanol

C13H12O — CID 10261907

IUPAC(R)-(2,3,4,5,6-pentadeuteriophenyl)-phenylmethanol
SMILES[2H]c1c([2H])c([2H])c([C@H](O)c2ccccc2)c([2H])c1[2H]
InChIInChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H/i1D,3D,4D,7D,8D/t13-/m0/s1
InChIKeyQILSFLSDHQAZET-VCJTZVAKSA-N
MW189.27 g/mol
LogP2.77
Rot. Bonds2

About (R)-(2,3,4,5,6-pentadeuteriophenyl)-phenylmethanol

(R)-(2,3,4,5,6-pentadeuteriophenyl)-phenylmethanol (PubChem CID 10261907) has the molecular formula C13H12O and a molecular weight of 189.27 g/mol. Its IUPAC name is (R)-(2,3,4,5,6-pentadeuteriophenyl)-phenylmethanol.

Molecular Properties

Compound Name(R)-(2,3,4,5,6-pentadeuteriophenyl)-phenylmethanol
PubChem CID10261907
Molecular FormulaC13H12O
Molecular Weight189.27 g/mol
Exact Mass189.12
IUPAC Name(R)-(2,3,4,5,6-pentadeuteriophenyl)-phenylmethanol
SMILES[2H]c1c([2H])c([2H])c([C@H](O)c2ccccc2)c([2H])c1[2H]
InChIInChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H/i1D,3D,4D,7D,8D/t13-/m0/s1
InChIKeyQILSFLSDHQAZET-VCJTZVAKSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)methanol
CID 131667546
(R)-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542463
(S)-[3-[(R)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542470
1,4-diiodobenzene;(4-iodophenyl)-phenylmethanol
CID 163739706
(S)-(4-bromophenyl)-phenylmethanol
CID 778571
diphenylmethanol;diphenylmethanone
CID 67159414
[3-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-phenylmethanol
CID 68959929
[4-[(R)-hydroxy(phenyl)methyl]phenyl]boronic acid
CID 99773321
phenyl-[2-(trideuteriomethoxy)phenyl]methanol
CID 101015641
1,2-diphenylethane-1,2-diol
CID 159073808
[4-[hydroxy(phenyl)methyl]-2,5-diphenylphenyl]-phenylmethanol
CID 101169550
2-[4-[hydroxy(phenyl)methyl]phenyl]-2-phenylacetonitrile
CID 2764122

Frequently Asked Questions

What is the IUPAC name of (R)-(2,3,4,5,6-pentadeuteriophenyl)-phenylmethanol?
The IUPAC name of (R)-(2,3,4,5,6-pentadeuteriophenyl)-phenylmethanol (CID 10261907) is (R)-(2,3,4,5,6-pentadeuteriophenyl)-phenylmethanol.
What is the SMILES notation for (R)-(2,3,4,5,6-pentadeuteriophenyl)-phenylmethanol?
The canonical SMILES for (R)-(2,3,4,5,6-pentadeuteriophenyl)-phenylmethanol is [2H]c1c([2H])c([2H])c([C@H](O)c2ccccc2)c([2H])c1[2H].
What is the InChIKey of (R)-(2,3,4,5,6-pentadeuteriophenyl)-phenylmethanol?
The InChIKey is QILSFLSDHQAZET-VCJTZVAKSA-N. The full InChI is InChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H/i1D,3D,4D,7D,8D/t13-/m0/s1.
What are the key properties of (R)-(2,3,4,5,6-pentadeuteriophenyl)-phenylmethanol?
(R)-(2,3,4,5,6-pentadeuteriophenyl)-phenylmethanol has a molecular weight of 189.27 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2,3,4,5,6-pentadeuteriophenyl)-phenylmethanol is sourced from PubChem (CID 10261907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).