4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzoic acid

C16H15IO3 — CID 65478013

IUPAC4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzoic acid
SMILESCc1cc(C(=O)O)cc(C)c1OCc1ccc(I)cc1
InChIInChI=1S/C16H15IO3/c1-10-7-13(16(18)19)8-11(2)15(10)20-9-12-3-5-14(17)6-4-12/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyIGWOAKPNIZRYEK-UHFFFAOYSA-N
MW382.20 g/mol
LogP4.19
Rot. Bonds4

About 4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzoic acid

4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzoic acid (PubChem CID 65478013) has the molecular formula C16H15IO3 and a molecular weight of 382.20 g/mol. Its IUPAC name is 4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzoic acid.

Molecular Properties

Compound Name4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzoic acid
PubChem CID65478013
Molecular FormulaC16H15IO3
Molecular Weight382.20 g/mol
Exact Mass382.01
IUPAC Name4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzoic acid
SMILESCc1cc(C(=O)O)cc(C)c1OCc1ccc(I)cc1
InChIInChI=1S/C16H15IO3/c1-10-7-13(16(18)19)8-11(2)15(10)20-9-12-3-5-14(17)6-4-12/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyIGWOAKPNIZRYEK-UHFFFAOYSA-N
XLogP4.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzenecarboximidamide
CID 65476998
2-[(4-iodophenyl)methoxy]-1,3-dimethylbenzene
CID 65489726
2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 65477113
3,5-dimethyl-4-phenylmethoxybenzamide
CID 97179397
4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzonitrile
CID 65477803
4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorobenzoic acid
CID 79880846
methyl 3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzoate
CID 99965462
benzyl 3,5-dimethyl-4-phenylmethoxybenzoate
CID 59301811
4-[(4-bromo-2,3,6-trimethylphenoxy)methyl]benzoic acid
CID 20986180
2-bromo-1-(3,5-dimethyl-4-phenylmethoxyphenyl)ethanone
CID 13440082
4-[(2-fluorophenyl)methoxy]-3,5-dimethylbenzoic acid
CID 28932941
3,5-difluoro-4-[(4-fluorophenyl)methoxy]benzoic acid
CID 79887700

Frequently Asked Questions

What is the IUPAC name of 4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzoic acid?
The IUPAC name of 4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzoic acid (CID 65478013) is 4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzoic acid.
What is the SMILES notation for 4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzoic acid?
The canonical SMILES for 4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzoic acid is Cc1cc(C(=O)O)cc(C)c1OCc1ccc(I)cc1.
What is the InChIKey of 4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzoic acid?
The InChIKey is IGWOAKPNIZRYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IO3/c1-10-7-13(16(18)19)8-11(2)15(10)20-9-12-3-5-14(17)6-4-12/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzoic acid?
4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzoic acid has a molecular weight of 382.20 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzoic acid is sourced from PubChem (CID 65478013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).