[4-(1-benzofuran-2-yl)-8-propan-2-yloxyisoquinolin-6-yl]methanol

C21H19NO3 — CID 122457505

IUPAC[4-(1-benzofuran-2-yl)-8-propan-2-yloxyisoquinolin-6-yl]methanol
SMILESCC(C)Oc1cc(CO)cc2c(-c3cc4ccccc4o3)cncc12
InChIInChI=1S/C21H19NO3/c1-13(2)24-20-8-14(12-23)7-16-17(20)10-22-11-18(16)21-9-15-5-3-4-6-19(15)25-21/h3-11,13,23H,12H2,1-2H3
InChIKeyYALDPBVJLNLVGP-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.93
Rot. Bonds4

About [4-(1-benzofuran-2-yl)-8-propan-2-yloxyisoquinolin-6-yl]methanol

[4-(1-benzofuran-2-yl)-8-propan-2-yloxyisoquinolin-6-yl]methanol (PubChem CID 122457505) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is [4-(1-benzofuran-2-yl)-8-propan-2-yloxyisoquinolin-6-yl]methanol.

Molecular Properties

Compound Name[4-(1-benzofuran-2-yl)-8-propan-2-yloxyisoquinolin-6-yl]methanol
PubChem CID122457505
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name[4-(1-benzofuran-2-yl)-8-propan-2-yloxyisoquinolin-6-yl]methanol
SMILESCC(C)Oc1cc(CO)cc2c(-c3cc4ccccc4o3)cncc12
InChIInChI=1S/C21H19NO3/c1-13(2)24-20-8-14(12-23)7-16-17(20)10-22-11-18(16)21-9-15-5-3-4-6-19(15)25-21/h3-11,13,23H,12H2,1-2H3
InChIKeyYALDPBVJLNLVGP-UHFFFAOYSA-N
XLogP4.93
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(1-benzofuran-2-yl)-8-propan-2-yloxyisoquinolin-6-yl]methanol with MolForge

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Related Compounds

[4-(1-benzofuran-2-yl)-8-chloroisoquinolin-6-yl]methanol;(4-bromo-8-chloroisoquinolin-6-yl)methanol
CID 157096320
tert-butyl N-[4-[2-[4-(1-benzofuran-2-yl)-8-propan-2-yloxyisoquinolin-6-yl]ethyl]cycloheptyl]carbamate
CID 163532019
[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methanol
CID 122457435
2-(3-methyl-4-propan-2-yloxyphenyl)-1-benzofuran
CID 145481148
4-(1-benzofuran-2-yl)-6-(piperazin-1-ylmethyl)isoquinoline
CID 122457812
tert-butyl 4-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]piperazine-1-carboxylate
CID 122495133
4-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methylamino]pyridin-3-ol
CID 122495273
tert-butyl N-[4-[4-(1-benzofuran-2-yl)-8-methoxyisoquinolin-6-yl]oxycyclohexyl]carbamate
CID 122457465
1-[[4-(1-benzofuran-2-yl)-8-nitroisoquinolin-6-yl]methyl]piperidin-4-amine
CID 122457656
6-[(4-aminopyridin-1-ium-1-yl)methyl]-4-(1-benzofuran-2-yl)isoquinolin-1-amine
CID 122457793
[4-(1-benzofuran-2-yl)isoquinolin-6-yl] (S)-trifluoromethanesulfinate
CID 122495177
N'-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]ethane-1,2-diamine
CID 122457476

Frequently Asked Questions

What is the IUPAC name of [4-(1-benzofuran-2-yl)-8-propan-2-yloxyisoquinolin-6-yl]methanol?
The IUPAC name of [4-(1-benzofuran-2-yl)-8-propan-2-yloxyisoquinolin-6-yl]methanol (CID 122457505) is [4-(1-benzofuran-2-yl)-8-propan-2-yloxyisoquinolin-6-yl]methanol.
What is the SMILES notation for [4-(1-benzofuran-2-yl)-8-propan-2-yloxyisoquinolin-6-yl]methanol?
The canonical SMILES for [4-(1-benzofuran-2-yl)-8-propan-2-yloxyisoquinolin-6-yl]methanol is CC(C)Oc1cc(CO)cc2c(-c3cc4ccccc4o3)cncc12.
What is the InChIKey of [4-(1-benzofuran-2-yl)-8-propan-2-yloxyisoquinolin-6-yl]methanol?
The InChIKey is YALDPBVJLNLVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-13(2)24-20-8-14(12-23)7-16-17(20)10-22-11-18(16)21-9-15-5-3-4-6-19(15)25-21/h3-11,13,23H,12H2,1-2H3.
What are the key properties of [4-(1-benzofuran-2-yl)-8-propan-2-yloxyisoquinolin-6-yl]methanol?
[4-(1-benzofuran-2-yl)-8-propan-2-yloxyisoquinolin-6-yl]methanol has a molecular weight of 333.39 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzofuran-2-yl)-8-propan-2-yloxyisoquinolin-6-yl]methanol is sourced from PubChem (CID 122457505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).