4-iodo-5-phenylmethoxybenzene-1,3-diol

C13H11IO3 — CID 71339742

IUPAC4-iodo-5-phenylmethoxybenzene-1,3-diol
SMILESOc1cc(O)c(I)c(OCc2ccccc2)c1
InChIInChI=1S/C13H11IO3/c14-13-11(16)6-10(15)7-12(13)17-8-9-4-2-1-3-5-9/h1-7,15-16H,8H2
InChIKeyUTHHRUXRSGOPBM-UHFFFAOYSA-N
MW342.13 g/mol
LogP3.28
Rot. Bonds3

About 4-iodo-5-phenylmethoxybenzene-1,3-diol

4-iodo-5-phenylmethoxybenzene-1,3-diol (PubChem CID 71339742) has the molecular formula C13H11IO3 and a molecular weight of 342.13 g/mol. Its IUPAC name is 4-iodo-5-phenylmethoxybenzene-1,3-diol.

Molecular Properties

Compound Name4-iodo-5-phenylmethoxybenzene-1,3-diol
PubChem CID71339742
Molecular FormulaC13H11IO3
Molecular Weight342.13 g/mol
Exact Mass341.98
IUPAC Name4-iodo-5-phenylmethoxybenzene-1,3-diol
SMILESOc1cc(O)c(I)c(OCc2ccccc2)c1
InChIInChI=1S/C13H11IO3/c14-13-11(16)6-10(15)7-12(13)17-8-9-4-2-1-3-5-9/h1-7,15-16H,8H2
InChIKeyUTHHRUXRSGOPBM-UHFFFAOYSA-N
XLogP3.28
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.13
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-phenylmethoxybenzene-1,2-diol
CID 86049780
3,5-dihydroxy-2-phenylmethoxybenzoic acid
CID 118873136
5-phenyl-2-phenylmethoxyphenol
CID 11994792
(3-fluoro-2-iodo-4-phenylmethoxyphenyl)methanol
CID 137378511
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde
CID 22456878
(3-iodo-4-phenylmethoxyphenyl)methanamine
CID 169488711
2-phenylmethoxybenzene-1,3-diol
CID 15652625
(1-iodo-4-phenylmethoxynaphthalen-2-yl) carbamate
CID 175264172
4-tert-butyl-2-phenylmethoxyphenol
CID 18795860
5-(methylideneamino)-2-phenylmethoxyphenol
CID 129131703
6-phenylmethoxy-2,3-dihydro-1H-inden-5-ol
CID 13059019

Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-phenylmethoxybenzene-1,3-diol?
The IUPAC name of 4-iodo-5-phenylmethoxybenzene-1,3-diol (CID 71339742) is 4-iodo-5-phenylmethoxybenzene-1,3-diol.
What is the SMILES notation for 4-iodo-5-phenylmethoxybenzene-1,3-diol?
The canonical SMILES for 4-iodo-5-phenylmethoxybenzene-1,3-diol is Oc1cc(O)c(I)c(OCc2ccccc2)c1.
What is the InChIKey of 4-iodo-5-phenylmethoxybenzene-1,3-diol?
The InChIKey is UTHHRUXRSGOPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IO3/c14-13-11(16)6-10(15)7-12(13)17-8-9-4-2-1-3-5-9/h1-7,15-16H,8H2.
What are the key properties of 4-iodo-5-phenylmethoxybenzene-1,3-diol?
4-iodo-5-phenylmethoxybenzene-1,3-diol has a molecular weight of 342.13 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-phenylmethoxybenzene-1,3-diol is sourced from PubChem (CID 71339742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).