(4-bromophenyl)-(2-iodo-3-methylphenyl)methanol

C14H12BrIO — CID 114029440

IUPAC(4-bromophenyl)-(2-iodo-3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2ccc(Br)cc2)c1I
InChIInChI=1S/C14H12BrIO/c1-9-3-2-4-12(13(9)16)14(17)10-5-7-11(15)8-6-10/h2-8,14,17H,1H3
InChIKeyJOMGIYKBLTZJTK-UHFFFAOYSA-N
MW403.06 g/mol
LogP4.44
Rot. Bonds2

About (4-bromophenyl)-(2-iodo-3-methylphenyl)methanol

(4-bromophenyl)-(2-iodo-3-methylphenyl)methanol (PubChem CID 114029440) has the molecular formula C14H12BrIO and a molecular weight of 403.06 g/mol. Its IUPAC name is (4-bromophenyl)-(2-iodo-3-methylphenyl)methanol.

Molecular Properties

Compound Name(4-bromophenyl)-(2-iodo-3-methylphenyl)methanol
PubChem CID114029440
Molecular FormulaC14H12BrIO
Molecular Weight403.06 g/mol
Exact Mass401.91
IUPAC Name(4-bromophenyl)-(2-iodo-3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2ccc(Br)cc2)c1I
InChIInChI=1S/C14H12BrIO/c1-9-3-2-4-12(13(9)16)14(17)10-5-7-11(15)8-6-10/h2-8,14,17H,1H3
InChIKeyJOMGIYKBLTZJTK-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.06
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-bromo-3-methylphenyl)-phenylmethanol
CID 107983305
(S)-(4-bromophenyl)-phenylmethanol
CID 778571
(2-iodo-3-methylphenyl)-(5-methoxy-3-pyridinyl)methanol
CID 114030462
(4-bromophenyl)-(2-chlorophenyl)methanol
CID 11312546
(3-bromophenyl)-(2-methylphenyl)methanol
CID 60798541
3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186404
N-[(1S)-1-(4-bromophenyl)ethyl]-2-iodo-3-methylbenzamide
CID 39708887
1-bromo-4-[bromo-(2-methylphenyl)methyl]benzene
CID 63439600
1-bromo-4-[1-(2-methylphenyl)ethyl]benzene
CID 71518832
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol
CID 115791704
(2-amino-3-methylphenyl)-(4-methylphenyl)methanol
CID 105484724
(2,3-dimethylphenyl)-(4-ethoxyphenyl)methanol
CID 61100219

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(2-iodo-3-methylphenyl)methanol?
The IUPAC name of (4-bromophenyl)-(2-iodo-3-methylphenyl)methanol (CID 114029440) is (4-bromophenyl)-(2-iodo-3-methylphenyl)methanol.
What is the SMILES notation for (4-bromophenyl)-(2-iodo-3-methylphenyl)methanol?
The canonical SMILES for (4-bromophenyl)-(2-iodo-3-methylphenyl)methanol is Cc1cccc(C(O)c2ccc(Br)cc2)c1I.
What is the InChIKey of (4-bromophenyl)-(2-iodo-3-methylphenyl)methanol?
The InChIKey is JOMGIYKBLTZJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrIO/c1-9-3-2-4-12(13(9)16)14(17)10-5-7-11(15)8-6-10/h2-8,14,17H,1H3.
What are the key properties of (4-bromophenyl)-(2-iodo-3-methylphenyl)methanol?
(4-bromophenyl)-(2-iodo-3-methylphenyl)methanol has a molecular weight of 403.06 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(2-iodo-3-methylphenyl)methanol is sourced from PubChem (CID 114029440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).