2-chloro-4-[2-(4-hydroxyphenyl)propan-2-yl]-6-iodophenol

C15H14ClIO2 — CID 162345095

IUPAC2-chloro-4-[2-(4-hydroxyphenyl)propan-2-yl]-6-iodophenol
SMILESCC(C)(c1ccc(O)cc1)c1cc(Cl)c(O)c(I)c1
InChIInChI=1S/C15H14ClIO2/c1-15(2,9-3-5-11(18)6-4-9)10-7-12(16)14(19)13(17)8-10/h3-8,18-19H,1-2H3
InChIKeyDGGXVBPZRHLTNM-UHFFFAOYSA-N
MW388.63 g/mol
LogP4.68
Rot. Bonds2

About 2-chloro-4-[2-(4-hydroxyphenyl)propan-2-yl]-6-iodophenol

2-chloro-4-[2-(4-hydroxyphenyl)propan-2-yl]-6-iodophenol (PubChem CID 162345095) has the molecular formula C15H14ClIO2 and a molecular weight of 388.63 g/mol. Its IUPAC name is 2-chloro-4-[2-(4-hydroxyphenyl)propan-2-yl]-6-iodophenol.

Molecular Properties

Compound Name2-chloro-4-[2-(4-hydroxyphenyl)propan-2-yl]-6-iodophenol
PubChem CID162345095
Molecular FormulaC15H14ClIO2
Molecular Weight388.63 g/mol
Exact Mass387.97
IUPAC Name2-chloro-4-[2-(4-hydroxyphenyl)propan-2-yl]-6-iodophenol
SMILESCC(C)(c1ccc(O)cc1)c1cc(Cl)c(O)c(I)c1
InChIInChI=1S/C15H14ClIO2/c1-15(2,9-3-5-11(18)6-4-9)10-7-12(16)14(19)13(17)8-10/h3-8,18-19H,1-2H3
InChIKeyDGGXVBPZRHLTNM-UHFFFAOYSA-N
XLogP4.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.63
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
benzene-1,3,5-triol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 159326359
disodium bisphenol-A
CID 66941220
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949
dichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 158726740
carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum
CID 20695639
disodium;hydride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 173033429
4-[2-(3,5-dimethylphenyl)propan-2-yl]phenol
CID 174786384
4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol
CID 160835894
2,6-dichloro-4-[(3,5-dichloro-4-hydroxyphenyl)-bis(4-hydroxyphenyl)methyl]phenol
CID 159764746
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylpropane)
CID 143736977
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
CID 634278

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(4-hydroxyphenyl)propan-2-yl]-6-iodophenol?
The IUPAC name of 2-chloro-4-[2-(4-hydroxyphenyl)propan-2-yl]-6-iodophenol (CID 162345095) is 2-chloro-4-[2-(4-hydroxyphenyl)propan-2-yl]-6-iodophenol.
What is the SMILES notation for 2-chloro-4-[2-(4-hydroxyphenyl)propan-2-yl]-6-iodophenol?
The canonical SMILES for 2-chloro-4-[2-(4-hydroxyphenyl)propan-2-yl]-6-iodophenol is CC(C)(c1ccc(O)cc1)c1cc(Cl)c(O)c(I)c1.
What is the InChIKey of 2-chloro-4-[2-(4-hydroxyphenyl)propan-2-yl]-6-iodophenol?
The InChIKey is DGGXVBPZRHLTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClIO2/c1-15(2,9-3-5-11(18)6-4-9)10-7-12(16)14(19)13(17)8-10/h3-8,18-19H,1-2H3.
What are the key properties of 2-chloro-4-[2-(4-hydroxyphenyl)propan-2-yl]-6-iodophenol?
2-chloro-4-[2-(4-hydroxyphenyl)propan-2-yl]-6-iodophenol has a molecular weight of 388.63 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(4-hydroxyphenyl)propan-2-yl]-6-iodophenol is sourced from PubChem (CID 162345095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).