[3-[3-chloro-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methanol

C17H19ClO5 — CID 54117056

IUPAC[3-[3-chloro-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methanol
SMILESCOCOc1c(Cl)cccc1-c1cccc(CO)c1OCOC
InChIInChI=1S/C17H19ClO5/c1-20-10-22-16-12(9-19)5-3-6-13(16)14-7-4-8-15(18)17(14)23-11-21-2/h3-8,19H,9-11H2,1-2H3
InChIKeyNLAZBTGJRMXONE-UHFFFAOYSA-N
MW338.79 g/mol
LogP3.46
Rot. Bonds8

About [3-[3-chloro-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methanol

[3-[3-chloro-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methanol (PubChem CID 54117056) has the molecular formula C17H19ClO5 and a molecular weight of 338.79 g/mol. Its IUPAC name is [3-[3-chloro-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-[3-chloro-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methanol
PubChem CID54117056
Molecular FormulaC17H19ClO5
Molecular Weight338.79 g/mol
Exact Mass338.09
IUPAC Name[3-[3-chloro-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methanol
SMILESCOCOc1c(Cl)cccc1-c1cccc(CO)c1OCOC
InChIInChI=1S/C17H19ClO5/c1-20-10-22-16-12(9-19)5-3-6-13(16)14-7-4-8-15(18)17(14)23-11-21-2/h3-8,19H,9-11H2,1-2H3
InChIKeyNLAZBTGJRMXONE-UHFFFAOYSA-N
XLogP3.46
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[3-chloro-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methanol?
The IUPAC name of [3-[3-chloro-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methanol (CID 54117056) is [3-[3-chloro-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methanol.
What is the SMILES notation for [3-[3-chloro-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methanol?
The canonical SMILES for [3-[3-chloro-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methanol is COCOc1c(Cl)cccc1-c1cccc(CO)c1OCOC.
What is the InChIKey of [3-[3-chloro-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methanol?
The InChIKey is NLAZBTGJRMXONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO5/c1-20-10-22-16-12(9-19)5-3-6-13(16)14-7-4-8-15(18)17(14)23-11-21-2/h3-8,19H,9-11H2,1-2H3.
What are the key properties of [3-[3-chloro-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methanol?
[3-[3-chloro-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methanol has a molecular weight of 338.79 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-chloro-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methanol is sourced from PubChem (CID 54117056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).