[4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanol

C15H13Cl2IO3 — CID 1319055

IUPAC[4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(I)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2IO3/c1-20-14-6-10(7-19)5-13(18)15(14)21-8-9-2-3-11(16)12(17)4-9/h2-6,19H,7-8H2,1H3
InChIKeyAMZXCZQOFJKIDP-UHFFFAOYSA-N
MW439.08 g/mol
LogP4.68
Rot. Bonds5

About [4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanol

[4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanol (PubChem CID 1319055) has the molecular formula C15H13Cl2IO3 and a molecular weight of 439.08 g/mol. Its IUPAC name is [4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanol
PubChem CID1319055
Molecular FormulaC15H13Cl2IO3
Molecular Weight439.08 g/mol
Exact Mass437.93
IUPAC Name[4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(I)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2IO3/c1-20-14-6-10(7-19)5-13(18)15(14)21-8-9-2-3-11(16)12(17)4-9/h2-6,19H,7-8H2,1H3
InChIKeyAMZXCZQOFJKIDP-UHFFFAOYSA-N
XLogP4.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.08
LogP ≤ 54.68
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

4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile
CID 91683464
3-[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]propan-1-ol
CID 170887606
1-bromo-5-(bromomethyl)-2-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzene
CID 43622800
[3-bromo-4-[(3-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 103038353
3-[4-[(3,4-dichlorophenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-en-1-ol
CID 141140354
[4-[(3-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol
CID 28898339
4-[[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]methyl]benzoic acid
CID 894276
[3-chloro-4-[(3-ethoxy-4-phenylmethoxyphenyl)methoxy]-5-methoxyphenyl]methanol
CID 5245459
(NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]hydroxylamine
CID 91689806
[3-chloro-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methanol
CID 45371652
2-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol
CID 17056835
(4Z)-2-(2-chlorophenyl)-4-[[4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-1,3-oxazol-5-one
CID 19664386

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanol?
The IUPAC name of [4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanol (CID 1319055) is [4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanol.
What is the SMILES notation for [4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanol?
The canonical SMILES for [4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanol is COc1cc(CO)cc(I)c1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of [4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanol?
The InChIKey is AMZXCZQOFJKIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2IO3/c1-20-14-6-10(7-19)5-13(18)15(14)21-8-9-2-3-11(16)12(17)4-9/h2-6,19H,7-8H2,1H3.
What are the key properties of [4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanol?
[4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanol has a molecular weight of 439.08 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanol is sourced from PubChem (CID 1319055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).