[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methanol

C14H12ClIO2 — CID 45371650

IUPAC[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methanol
SMILESOCc1ccc(OCc2ccccc2Cl)c(I)c1
InChIInChI=1S/C14H12ClIO2/c15-12-4-2-1-3-11(12)9-18-14-6-5-10(8-17)7-13(14)16/h1-7,17H,8-9H2
InChIKeyKLBBECRHIRNVAN-UHFFFAOYSA-N
MW374.61 g/mol
LogP4.02
Rot. Bonds4

About [4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methanol

[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methanol (PubChem CID 45371650) has the molecular formula C14H12ClIO2 and a molecular weight of 374.61 g/mol. Its IUPAC name is [4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methanol.

Molecular Properties

Compound Name[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methanol
PubChem CID45371650
Molecular FormulaC14H12ClIO2
Molecular Weight374.61 g/mol
Exact Mass373.96
IUPAC Name[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methanol
SMILESOCc1ccc(OCc2ccccc2Cl)c(I)c1
InChIInChI=1S/C14H12ClIO2/c15-12-4-2-1-3-11(12)9-18-14-6-5-10(8-17)7-13(14)16/h1-7,17H,8-9H2
InChIKeyKLBBECRHIRNVAN-UHFFFAOYSA-N
XLogP4.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.61
LogP ≤ 54.02
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-[(2-chlorophenyl)methoxy]-3-iodobenzohydrazide
CID 91682062
[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 107690673
[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 43267981
2,5-bis[(2-chlorophenyl)methoxy]phenol
CID 139941911
[2,3-bis[(2-chlorophenyl)methoxy]phenyl]methanol
CID 23590539
1,2,4-tris[(2-chlorophenyl)methoxy]benzene
CID 139941968
5-[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]-1,3,4-oxadiazol-2-amine
CID 91681993
5-[[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 124533169
(4-chloro-3-phenylmethoxyphenyl)methanol
CID 66724752
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 4716490
1,2-bis[(2-iodophenoxy)methyl]benzene
CID 154951075
[3-[(2-chloro-4-methylphenyl)methoxy]-4-methoxyphenyl]methanol
CID 106864284

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methanol?
The IUPAC name of [4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methanol (CID 45371650) is [4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methanol.
What is the SMILES notation for [4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methanol?
The canonical SMILES for [4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methanol is OCc1ccc(OCc2ccccc2Cl)c(I)c1.
What is the InChIKey of [4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methanol?
The InChIKey is KLBBECRHIRNVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIO2/c15-12-4-2-1-3-11(12)9-18-14-6-5-10(8-17)7-13(14)16/h1-7,17H,8-9H2.
What are the key properties of [4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methanol?
[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methanol has a molecular weight of 374.61 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methanol is sourced from PubChem (CID 45371650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).