3-(4-benzhydryl-2,6-dimethylphenyl)-2-iodophenol

C27H23IO — CID 166063702

IUPAC3-(4-benzhydryl-2,6-dimethylphenyl)-2-iodophenol
SMILESCc1cc(C(c2ccccc2)c2ccccc2)cc(C)c1-c1cccc(O)c1I
InChIInChI=1S/C27H23IO/c1-18-16-22(17-19(2)25(18)23-14-9-15-24(29)27(23)28)26(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-17,26,29H,1-2H3
InChIKeyKVOQRWLNCCCUJW-UHFFFAOYSA-N
MW490.38 g/mol
LogP7.46
Rot. Bonds4

About 3-(4-benzhydryl-2,6-dimethylphenyl)-2-iodophenol

3-(4-benzhydryl-2,6-dimethylphenyl)-2-iodophenol (PubChem CID 166063702) has the molecular formula C27H23IO and a molecular weight of 490.38 g/mol. Its IUPAC name is 3-(4-benzhydryl-2,6-dimethylphenyl)-2-iodophenol.

Molecular Properties

Compound Name3-(4-benzhydryl-2,6-dimethylphenyl)-2-iodophenol
PubChem CID166063702
Molecular FormulaC27H23IO
Molecular Weight490.38 g/mol
Exact Mass490.08
IUPAC Name3-(4-benzhydryl-2,6-dimethylphenyl)-2-iodophenol
SMILESCc1cc(C(c2ccccc2)c2ccccc2)cc(C)c1-c1cccc(O)c1I
InChIInChI=1S/C27H23IO/c1-18-16-22(17-19(2)25(18)23-14-9-15-24(29)27(23)28)26(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-17,26,29H,1-2H3
InChIKeyKVOQRWLNCCCUJW-UHFFFAOYSA-N
XLogP7.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.38
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

5-benzhydryl-2-(2-iodo-3-methoxyphenyl)-1,3-dimethylbenzene
CID 166063705
5-benzhydryl-2-[2-iodo-3-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dimethylbenzene
CID 166063696
4-[[4-[bis(4-hydroxy-3-methyl-5-phenylphenyl)methyl]phenyl]-(4-hydroxy-3-methyl-5-phenylphenyl)methyl]-2-methyl-6-phenylphenol
CID 139962444
2-[[2,6-bis(4-benzhydryl-2,6-dimethylphenyl)phenyl]-tert-butylphosphanyl]-N,N-dimethylaniline
CID 166063709
2-benzhydryl-6-methylphenol
CID 154120751
benzhydrylbenzene;ethane;4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;methanol
CID 159315795
4-[(4-methoxyphenyl)-phenylmethyl]-2-methylphenol
CID 10804464
1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane
CID 145412167
4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol
CID 134202922
3,5-dimethyl-4-(2-methylphenyl)phenol
CID 21281420
sodium;3-(2,6-dichlorophenyl)-2-iodophenol;hydride
CID 173433912
(4-amino-3-benzhydryl-5-methylphenyl)methanediol
CID 68628796

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzhydryl-2,6-dimethylphenyl)-2-iodophenol?
The IUPAC name of 3-(4-benzhydryl-2,6-dimethylphenyl)-2-iodophenol (CID 166063702) is 3-(4-benzhydryl-2,6-dimethylphenyl)-2-iodophenol.
What is the SMILES notation for 3-(4-benzhydryl-2,6-dimethylphenyl)-2-iodophenol?
The canonical SMILES for 3-(4-benzhydryl-2,6-dimethylphenyl)-2-iodophenol is Cc1cc(C(c2ccccc2)c2ccccc2)cc(C)c1-c1cccc(O)c1I.
What is the InChIKey of 3-(4-benzhydryl-2,6-dimethylphenyl)-2-iodophenol?
The InChIKey is KVOQRWLNCCCUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23IO/c1-18-16-22(17-19(2)25(18)23-14-9-15-24(29)27(23)28)26(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-17,26,29H,1-2H3.
What are the key properties of 3-(4-benzhydryl-2,6-dimethylphenyl)-2-iodophenol?
3-(4-benzhydryl-2,6-dimethylphenyl)-2-iodophenol has a molecular weight of 490.38 g/mol, XLogP of 7.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzhydryl-2,6-dimethylphenyl)-2-iodophenol is sourced from PubChem (CID 166063702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).