[4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-methoxymethanol

C16H15NO4S — CID 142031522

IUPAC[4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-methoxymethanol
SMILESCOC(O)c1cc2c(Oc3ccc(CO)cc3)cncc2s1
InChIInChI=1S/C16H15NO4S/c1-20-16(19)14-6-12-13(7-17-8-15(12)22-14)21-11-4-2-10(9-18)3-5-11/h2-8,16,18-19H,9H2,1H3
InChIKeyMVRRLCMDAVRWCJ-UHFFFAOYSA-N
MW317.37 g/mol
LogP3.22
Rot. Bonds5

About [4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-methoxymethanol

[4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-methoxymethanol (PubChem CID 142031522) has the molecular formula C16H15NO4S and a molecular weight of 317.37 g/mol. Its IUPAC name is [4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-methoxymethanol.

Molecular Properties

Compound Name[4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-methoxymethanol
PubChem CID142031522
Molecular FormulaC16H15NO4S
Molecular Weight317.37 g/mol
Exact Mass317.07
IUPAC Name[4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-methoxymethanol
SMILESCOC(O)c1cc2c(Oc3ccc(CO)cc3)cncc2s1
InChIInChI=1S/C16H15NO4S/c1-20-16(19)14-6-12-13(7-17-8-15(12)22-14)21-11-4-2-10(9-18)3-5-11/h2-8,16,18-19H,9H2,1H3
InChIKeyMVRRLCMDAVRWCJ-UHFFFAOYSA-N
XLogP3.22
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 [4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-methoxymethanol?
The IUPAC name of [4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-methoxymethanol (CID 142031522) is [4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-methoxymethanol.
What is the SMILES notation for [4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-methoxymethanol?
The canonical SMILES for [4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-methoxymethanol is COC(O)c1cc2c(Oc3ccc(CO)cc3)cncc2s1.
What is the InChIKey of [4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-methoxymethanol?
The InChIKey is MVRRLCMDAVRWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4S/c1-20-16(19)14-6-12-13(7-17-8-15(12)22-14)21-11-4-2-10(9-18)3-5-11/h2-8,16,18-19H,9H2,1H3.
What are the key properties of [4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-methoxymethanol?
[4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-methoxymethanol has a molecular weight of 317.37 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-methoxymethanol is sourced from PubChem (CID 142031522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).