[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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Related Compounds

4-[4-(methoxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylic acid
CID 11109843
actinium;4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide;methyl 4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]thieno[2,3-c]pyridine-2-carboxylate;methyl 4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylate
CID 158085064
methyl (E)-3-[4-(4-bromophenoxy)thieno[2,3-c]pyridin-2-yl]prop-2-enoate
CID 18516199
methyl 4-[4-(oxoboranylmethylamino)phenoxy]thieno[2,3-c]pyridine-2-carboxylate
CID 20594279
4-(4-bromophenoxy)-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide
CID 18516240
[4-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]oxyphenyl]methanol
CID 62088149
2-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]acetic acid
CID 58622521
4-[4-(1,1-difluoro-2-hydroxyethyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 10155661
4-(4-chlorophenoxy)-2-(3-methyl-2H-1,3,4-thiadiazol-5-yl)thieno[2,3-c]pyridine
CID 141024148
[4-(2,5-dibromo-4-methoxyphenoxy)phenyl]methanol
CID 79403220
4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzenediazonium
CID 11069022
[4-(2-methoxyphenoxy)phenyl]methanol
CID 28946116

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).