[3-chloro-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methanol

C16H16ClIO3 — CID 45371652

IUPAC[3-chloro-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methanol
SMILESCCOc1cc(CO)cc(Cl)c1OCc1ccc(I)cc1
InChIInChI=1S/C16H16ClIO3/c1-2-20-15-8-12(9-19)7-14(17)16(15)21-10-11-3-5-13(18)6-4-11/h3-8,19H,2,9-10H2,1H3
InChIKeyQPGOGERRHNWPNH-UHFFFAOYSA-N
MW418.66 g/mol
LogP4.41
Rot. Bonds6

About [3-chloro-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methanol

[3-chloro-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methanol (PubChem CID 45371652) has the molecular formula C16H16ClIO3 and a molecular weight of 418.66 g/mol. Its IUPAC name is [3-chloro-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methanol
PubChem CID45371652
Molecular FormulaC16H16ClIO3
Molecular Weight418.66 g/mol
Exact Mass417.98
IUPAC Name[3-chloro-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methanol
SMILESCCOc1cc(CO)cc(Cl)c1OCc1ccc(I)cc1
InChIInChI=1S/C16H16ClIO3/c1-2-20-15-8-12(9-19)7-14(17)16(15)21-10-11-3-5-13(18)6-4-11/h3-8,19H,2,9-10H2,1H3
InChIKeyQPGOGERRHNWPNH-UHFFFAOYSA-N
XLogP4.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.66
LogP ≤ 54.41
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

[3-chloro-4-[(3-ethoxy-4-phenylmethoxyphenyl)methoxy]-5-methoxyphenyl]methanol
CID 5245459
[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanamine
CID 20988973
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 4716543
[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methanol
CID 2933314
2-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol
CID 2200261
3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzenecarbothioamide
CID 22679888
4-[[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]methyl]benzoic acid
CID 894276
[3,5-difluoro-4-[(4-iodophenyl)methoxy]phenyl]methanol
CID 79888019
[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol
CID 893259
3-chloro-5-ethoxy-4-phenylmethoxybenzenecarbothioamide
CID 22685956
N-[[3-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 17055417
2-[3-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214144

Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methanol?
The IUPAC name of [3-chloro-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methanol (CID 45371652) is [3-chloro-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-chloro-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methanol?
The canonical SMILES for [3-chloro-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methanol is CCOc1cc(CO)cc(Cl)c1OCc1ccc(I)cc1.
What is the InChIKey of [3-chloro-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methanol?
The InChIKey is QPGOGERRHNWPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClIO3/c1-2-20-15-8-12(9-19)7-14(17)16(15)21-10-11-3-5-13(18)6-4-11/h3-8,19H,2,9-10H2,1H3.
What are the key properties of [3-chloro-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methanol?
[3-chloro-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methanol has a molecular weight of 418.66 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 45371652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).