[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methoxy]phenyl]-[4-(2-hydroxyethyl)-2-methylindol-1-yl]methanone

C27H25NO4 — CID 10113326

IUPAC[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methoxy]phenyl]-[4-(2-hydroxyethyl)-2-methylindol-1-yl]methanone
SMILESCc1cc2c(CCO)cccc2n1C(=O)c1ccc(OC[C@H]2Cc3ccccc3O2)cc1
InChIInChI=1S/C27H25NO4/c1-18-15-24-19(13-14-29)6-4-7-25(24)28(18)27(30)20-9-11-22(12-10-20)31-17-23-16-21-5-2-3-8-26(21)32-23/h2-12,15,23,29H,13-14,16-17H2,1H3/t23-/m1/s1
InChIKeyYJFPPZQJDJTIKZ-HSZRJFAPSA-N
MW427.50 g/mol
LogP4.56
Rot. Bonds6

About [4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methoxy]phenyl]-[4-(2-hydroxyethyl)-2-methylindol-1-yl]methanone

[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methoxy]phenyl]-[4-(2-hydroxyethyl)-2-methylindol-1-yl]methanone (PubChem CID 10113326) has the molecular formula C27H25NO4 and a molecular weight of 427.50 g/mol. Its IUPAC name is [4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methoxy]phenyl]-[4-(2-hydroxyethyl)-2-methylindol-1-yl]methanone.

Molecular Properties

Compound Name[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methoxy]phenyl]-[4-(2-hydroxyethyl)-2-methylindol-1-yl]methanone
PubChem CID10113326
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC Name[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methoxy]phenyl]-[4-(2-hydroxyethyl)-2-methylindol-1-yl]methanone
SMILESCc1cc2c(CCO)cccc2n1C(=O)c1ccc(OC[C@H]2Cc3ccccc3O2)cc1
InChIInChI=1S/C27H25NO4/c1-18-15-24-19(13-14-29)6-4-7-25(24)28(18)27(30)20-9-11-22(12-10-20)31-17-23-16-21-5-2-3-8-26(21)32-23/h2-12,15,23,29H,13-14,16-17H2,1H3/t23-/m1/s1
InChIKeyYJFPPZQJDJTIKZ-HSZRJFAPSA-N
XLogP4.56
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methoxy]phenyl]-[4-(2-hydroxyethyl)-2-methylindol-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

2-[1-[4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methoxy]benzoyl]-2-methylindol-4-yl]acetic acid
CID 10297072
2-[2-methyl-1-[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]indol-4-yl]ethyl acetate
CID 10185284
2-[1-[4-[[(2R)-2,3-dihydro-1,4-benzoxathiin-2-yl]methoxy]benzoyl]-2-methylindol-4-yl]acetic acid
CID 10162431
2-[1-[4-[(5-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)methoxy]benzoyl]-2-methylindol-4-yl]acetic acid
CID 22939064
2-[2-methyl-1-[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]indol-4-yl]-N-methylsulfonylacetamide
CID 10119944
2-[1-[4-[[(2S)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]-2-methylindol-4-yl]acetic acid
CID 10116922
2-[1-[4-[[(2S)-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]-2-methylindol-4-yl]acetic acid
CID 10278649
[1-[4-[[(2S)-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]-2-methylindol-4-yl] acetate
CID 66869859
benzyl 2-[2-methyl-1-[2-methyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]indol-4-yl]acetate
CID 10281574
[1-[4-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methoxy]benzoyl]-2-methylindol-4-yl] acetate
CID 69052556
(4-ethyl-2-methylindol-1-yl)-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanone
CID 142084550
1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanol
CID 66364563

Frequently Asked Questions

What is the IUPAC name of [4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methoxy]phenyl]-[4-(2-hydroxyethyl)-2-methylindol-1-yl]methanone?
The IUPAC name of [4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methoxy]phenyl]-[4-(2-hydroxyethyl)-2-methylindol-1-yl]methanone (CID 10113326) is [4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methoxy]phenyl]-[4-(2-hydroxyethyl)-2-methylindol-1-yl]methanone.
What is the SMILES notation for [4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methoxy]phenyl]-[4-(2-hydroxyethyl)-2-methylindol-1-yl]methanone?
The canonical SMILES for [4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methoxy]phenyl]-[4-(2-hydroxyethyl)-2-methylindol-1-yl]methanone is Cc1cc2c(CCO)cccc2n1C(=O)c1ccc(OC[C@H]2Cc3ccccc3O2)cc1.
What is the InChIKey of [4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methoxy]phenyl]-[4-(2-hydroxyethyl)-2-methylindol-1-yl]methanone?
The InChIKey is YJFPPZQJDJTIKZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H25NO4/c1-18-15-24-19(13-14-29)6-4-7-25(24)28(18)27(30)20-9-11-22(12-10-20)31-17-23-16-21-5-2-3-8-26(21)32-23/h2-12,15,23,29H,13-14,16-17H2,1H3/t23-/m1/s1.
What are the key properties of [4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methoxy]phenyl]-[4-(2-hydroxyethyl)-2-methylindol-1-yl]methanone?
[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methoxy]phenyl]-[4-(2-hydroxyethyl)-2-methylindol-1-yl]methanone has a molecular weight of 427.50 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methoxy]phenyl]-[4-(2-hydroxyethyl)-2-methylindol-1-yl]methanone is sourced from PubChem (CID 10113326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).