[2-fluoro-3-[5-(hydroxymethyl)-2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methylcarbamic acid

C19H18FNO5 — CID 139560798

IUPAC[2-fluoro-3-[5-(hydroxymethyl)-2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methylcarbamic acid
SMILESCOCc1cc2cc(CO)cc(-c3cccc(CNC(=O)O)c3F)c2o1
InChIInChI=1S/C19H18FNO5/c1-25-10-14-7-13-5-11(9-22)6-16(18(13)26-14)15-4-2-3-12(17(15)20)8-21-19(23)24/h2-7,21-22H,8-10H2,1H3,(H,23,24)
InChIKeyONFIEDZFGZRWHN-UHFFFAOYSA-N
MW359.35 g/mol
LogP3.65
Rot. Bonds6

About [2-fluoro-3-[5-(hydroxymethyl)-2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methylcarbamic acid

[2-fluoro-3-[5-(hydroxymethyl)-2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methylcarbamic acid (PubChem CID 139560798) has the molecular formula C19H18FNO5 and a molecular weight of 359.35 g/mol. Its IUPAC name is [2-fluoro-3-[5-(hydroxymethyl)-2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[2-fluoro-3-[5-(hydroxymethyl)-2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methylcarbamic acid
PubChem CID139560798
Molecular FormulaC19H18FNO5
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name[2-fluoro-3-[5-(hydroxymethyl)-2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methylcarbamic acid
SMILESCOCc1cc2cc(CO)cc(-c3cccc(CNC(=O)O)c3F)c2o1
InChIInChI=1S/C19H18FNO5/c1-25-10-14-7-13-5-11(9-22)6-16(18(13)26-14)15-4-2-3-12(17(15)20)8-21-19(23)24/h2-7,21-22H,8-10H2,1H3,(H,23,24)
InChIKeyONFIEDZFGZRWHN-UHFFFAOYSA-N
XLogP3.65
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-[5-(hydroxymethyl)-2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methylcarbamic acid?
The IUPAC name of [2-fluoro-3-[5-(hydroxymethyl)-2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methylcarbamic acid (CID 139560798) is [2-fluoro-3-[5-(hydroxymethyl)-2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methylcarbamic acid.
What is the SMILES notation for [2-fluoro-3-[5-(hydroxymethyl)-2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methylcarbamic acid?
The canonical SMILES for [2-fluoro-3-[5-(hydroxymethyl)-2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methylcarbamic acid is COCc1cc2cc(CO)cc(-c3cccc(CNC(=O)O)c3F)c2o1.
What is the InChIKey of [2-fluoro-3-[5-(hydroxymethyl)-2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methylcarbamic acid?
The InChIKey is ONFIEDZFGZRWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO5/c1-25-10-14-7-13-5-11(9-22)6-16(18(13)26-14)15-4-2-3-12(17(15)20)8-21-19(23)24/h2-7,21-22H,8-10H2,1H3,(H,23,24).
What are the key properties of [2-fluoro-3-[5-(hydroxymethyl)-2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methylcarbamic acid?
[2-fluoro-3-[5-(hydroxymethyl)-2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methylcarbamic acid has a molecular weight of 359.35 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-[5-(hydroxymethyl)-2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methylcarbamic acid is sourced from PubChem (CID 139560798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).