1-(1-iodoethyl)-4-methoxybenzene;1-(4-methoxyphenyl)ethanol

C18H23IO3 — CID 158169844

IUPAC1-(1-iodoethyl)-4-methoxybenzene;1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(C)I)cc1.COc1ccc(C(C)O)cc1
InChIInChI=1S/C9H11IO.C9H12O2/c2*1-7(10)8-3-5-9(11-2)6-4-8/h3-7H,1-2H3;3-7,10H,1-2H3
InChIKeyFXHVWLMSWNCBDD-UHFFFAOYSA-N
MW414.28 g/mol
LogP4.94
Rot. Bonds4

About 1-(1-iodoethyl)-4-methoxybenzene;1-(4-methoxyphenyl)ethanol

1-(1-iodoethyl)-4-methoxybenzene;1-(4-methoxyphenyl)ethanol (PubChem CID 158169844) has the molecular formula C18H23IO3 and a molecular weight of 414.28 g/mol. Its IUPAC name is 1-(1-iodoethyl)-4-methoxybenzene;1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(1-iodoethyl)-4-methoxybenzene;1-(4-methoxyphenyl)ethanol
PubChem CID158169844
Molecular FormulaC18H23IO3
Molecular Weight414.28 g/mol
Exact Mass414.07
IUPAC Name1-(1-iodoethyl)-4-methoxybenzene;1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(C)I)cc1.COc1ccc(C(C)O)cc1
InChIInChI=1S/C9H11IO.C9H12O2/c2*1-7(10)8-3-5-9(11-2)6-4-8/h3-7H,1-2H3;3-7,10H,1-2H3
InChIKeyFXHVWLMSWNCBDD-UHFFFAOYSA-N
XLogP4.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.28
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 175713586
CID 175713586
(1S)-1-[4-(4-methoxyphenoxy)phenyl]ethanol
CID 63372514
(1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanol
CID 78941782
(2S,3R)-3-(4-methoxyphenyl)butan-2-ol
CID 13481815
(2R)-1,1-bis(4-methoxyphenyl)propan-2-ol
CID 91746525
1-(2-chlorophenyl)ethanol;1-(4-methoxyphenyl)ethanol
CID 166540851
1-[4-(3-methoxyphenoxy)phenyl]ethanol
CID 43506404
chloro-(4-methoxyphenyl)methanol
CID 130923369
2-chloro-1-(4-methoxyphenyl)ethanol
CID 12862876
(4-iodophenyl)-(4-methoxyphenyl)methanol
CID 61098998
(4-methoxyphenyl)iminovanadium;tris((1R)-1-phenylethanol)
CID 177409236
(4-methoxyphenyl)methanediol;titanium;bis(titanium(3+));dihydrate
CID 139244940

Frequently Asked Questions

What is the IUPAC name of 1-(1-iodoethyl)-4-methoxybenzene;1-(4-methoxyphenyl)ethanol?
The IUPAC name of 1-(1-iodoethyl)-4-methoxybenzene;1-(4-methoxyphenyl)ethanol (CID 158169844) is 1-(1-iodoethyl)-4-methoxybenzene;1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(1-iodoethyl)-4-methoxybenzene;1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 1-(1-iodoethyl)-4-methoxybenzene;1-(4-methoxyphenyl)ethanol is COc1ccc(C(C)I)cc1.COc1ccc(C(C)O)cc1.
What is the InChIKey of 1-(1-iodoethyl)-4-methoxybenzene;1-(4-methoxyphenyl)ethanol?
The InChIKey is FXHVWLMSWNCBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IO.C9H12O2/c2*1-7(10)8-3-5-9(11-2)6-4-8/h3-7H,1-2H3;3-7,10H,1-2H3.
What are the key properties of 1-(1-iodoethyl)-4-methoxybenzene;1-(4-methoxyphenyl)ethanol?
1-(1-iodoethyl)-4-methoxybenzene;1-(4-methoxyphenyl)ethanol has a molecular weight of 414.28 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodoethyl)-4-methoxybenzene;1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 158169844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).