1-(iodomethyl)-4-methylbenzene;(4-methylphenyl)methanol

C16H19IO — CID 157395568

IUPAC1-(iodomethyl)-4-methylbenzene;(4-methylphenyl)methanol
SMILESCc1ccc(CI)cc1.Cc1ccc(CO)cc1
InChIInChI=1S/C8H9I.C8H10O/c2*1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3;2-5,9H,6H2,1H3
InChIKeyBMNLFENMGNCVTG-UHFFFAOYSA-N
MW354.23 g/mol
LogP4.42
Rot. Bonds2

About 1-(iodomethyl)-4-methylbenzene;(4-methylphenyl)methanol

1-(iodomethyl)-4-methylbenzene;(4-methylphenyl)methanol (PubChem CID 157395568) has the molecular formula C16H19IO and a molecular weight of 354.23 g/mol. Its IUPAC name is 1-(iodomethyl)-4-methylbenzene;(4-methylphenyl)methanol.

Molecular Properties

Compound Name1-(iodomethyl)-4-methylbenzene;(4-methylphenyl)methanol
PubChem CID157395568
Molecular FormulaC16H19IO
Molecular Weight354.23 g/mol
Exact Mass354.05
IUPAC Name1-(iodomethyl)-4-methylbenzene;(4-methylphenyl)methanol
SMILESCc1ccc(CI)cc1.Cc1ccc(CO)cc1
InChIInChI=1S/C8H9I.C8H10O/c2*1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3;2-5,9H,6H2,1H3
InChIKeyBMNLFENMGNCVTG-UHFFFAOYSA-N
XLogP4.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl)methanol
CID 138734499
ethane;(4-methylphenyl)methanol;hydrate
CID 144684706
[4-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]phenyl]methanol
CID 121329886
1,1,1,3,3,3-hexachloropropan-2-one;(4-methylphenyl)methanol
CID 91571540
(4-chlorophenyl)methanol;4-methylphenol
CID 158049041
1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea
CID 64794146
[4-(hydroxymethyl)benzoyl] 4-methylbenzenecarboperoxoate
CID 163593523
3-[4-(hydroxymethyl)phenyl]-2-(4-methylphenyl)propanoic acid
CID 82160685
dichloromethane;4-methylbenzaldehyde;(4-methylphenyl)methanol
CID 160602999
ethane;[4-[2-[4-(hydroxymethyl)phenyl]ethyl]phenyl]methanol
CID 144873732
4-(iodomethyl)phenol
CID 11241787
[4-(N-(4-ethylphenyl)-4-methylanilino)phenyl]methanol;[4-(N-[4-(hydroxymethyl)phenyl]anilino)phenyl]methanol
CID 159917038

Frequently Asked Questions

What is the IUPAC name of 1-(iodomethyl)-4-methylbenzene;(4-methylphenyl)methanol?
The IUPAC name of 1-(iodomethyl)-4-methylbenzene;(4-methylphenyl)methanol (CID 157395568) is 1-(iodomethyl)-4-methylbenzene;(4-methylphenyl)methanol.
What is the SMILES notation for 1-(iodomethyl)-4-methylbenzene;(4-methylphenyl)methanol?
The canonical SMILES for 1-(iodomethyl)-4-methylbenzene;(4-methylphenyl)methanol is Cc1ccc(CI)cc1.Cc1ccc(CO)cc1.
What is the InChIKey of 1-(iodomethyl)-4-methylbenzene;(4-methylphenyl)methanol?
The InChIKey is BMNLFENMGNCVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9I.C8H10O/c2*1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3;2-5,9H,6H2,1H3.
What are the key properties of 1-(iodomethyl)-4-methylbenzene;(4-methylphenyl)methanol?
1-(iodomethyl)-4-methylbenzene;(4-methylphenyl)methanol has a molecular weight of 354.23 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)-4-methylbenzene;(4-methylphenyl)methanol is sourced from PubChem (CID 157395568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).