4-[3-(dimethylamino)propyl]-2-iodo-6-methoxyphenol

C12H18INO2 — CID 170865187

IUPAC4-[3-(dimethylamino)propyl]-2-iodo-6-methoxyphenol
SMILESCOc1cc(CCCN(C)C)cc(I)c1O
InChIInChI=1S/C12H18INO2/c1-14(2)6-4-5-9-7-10(13)12(15)11(8-9)16-3/h7-8,15H,4-6H2,1-3H3
InChIKeyDHSUBTPTAXIQSW-UHFFFAOYSA-N
MW335.19 g/mol
LogP2.50
Rot. Bonds5

About 4-[3-(dimethylamino)propyl]-2-iodo-6-methoxyphenol

4-[3-(dimethylamino)propyl]-2-iodo-6-methoxyphenol (PubChem CID 170865187) has the molecular formula C12H18INO2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl]-2-iodo-6-methoxyphenol.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl]-2-iodo-6-methoxyphenol
PubChem CID170865187
Molecular FormulaC12H18INO2
Molecular Weight335.19 g/mol
Exact Mass335.04
IUPAC Name4-[3-(dimethylamino)propyl]-2-iodo-6-methoxyphenol
SMILESCOc1cc(CCCN(C)C)cc(I)c1O
InChIInChI=1S/C12H18INO2/c1-14(2)6-4-5-9-7-10(13)12(15)11(8-9)16-3/h7-8,15H,4-6H2,1-3H3
InChIKeyDHSUBTPTAXIQSW-UHFFFAOYSA-N
XLogP2.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(dimethylamino)propyl]-3-iodo-6-methoxyphenol
CID 170865553
5-[3-(dimethylamino)propyl]benzene-1,2,3-triol
CID 170865399
4-(3-bromopropyl)-2,6-dimethoxyphenol
CID 53434534
2,6-dimethoxy-4-pentylphenol
CID 22625510
4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
CID 10066574
2-iodo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol
CID 4662476
2,4,6-tris[10-(dimethylamino)decyl]phenol
CID 150884790
4-(2-amino-3-hydroxypropyl)-2-iodo-6-methoxyphenol
CID 170891887
3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865219
4-[3-(dimethylamino)propyl]-3-methoxyphenol
CID 170865239
2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol
CID 162036765
2-[3-(dimethylamino)propyl]-4-hydroxy-3,5-dimethoxybenzoic acid
CID 170549339

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl]-2-iodo-6-methoxyphenol?
The IUPAC name of 4-[3-(dimethylamino)propyl]-2-iodo-6-methoxyphenol (CID 170865187) is 4-[3-(dimethylamino)propyl]-2-iodo-6-methoxyphenol.
What is the SMILES notation for 4-[3-(dimethylamino)propyl]-2-iodo-6-methoxyphenol?
The canonical SMILES for 4-[3-(dimethylamino)propyl]-2-iodo-6-methoxyphenol is COc1cc(CCCN(C)C)cc(I)c1O.
What is the InChIKey of 4-[3-(dimethylamino)propyl]-2-iodo-6-methoxyphenol?
The InChIKey is DHSUBTPTAXIQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18INO2/c1-14(2)6-4-5-9-7-10(13)12(15)11(8-9)16-3/h7-8,15H,4-6H2,1-3H3.
What are the key properties of 4-[3-(dimethylamino)propyl]-2-iodo-6-methoxyphenol?
4-[3-(dimethylamino)propyl]-2-iodo-6-methoxyphenol has a molecular weight of 335.19 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl]-2-iodo-6-methoxyphenol is sourced from PubChem (CID 170865187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).