1-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylphenyl]ethanone

C23H27NO4 — CID 97186886

IUPAC1-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylphenyl]ethanone
SMILESCOc1cccc2c1OC[C@@H](Cc1cc(C(C)=O)ccc1N1CCOCC1)C2
InChIInChI=1S/C23H27NO4/c1-16(25)18-6-7-21(24-8-10-27-11-9-24)20(14-18)13-17-12-19-4-3-5-22(26-2)23(19)28-15-17/h3-7,14,17H,8-13,15H2,1-2H3/t17-/m1/s1
InChIKeyKSTMGBLUXNRVEQ-QGZVFWFLSA-N
MW381.47 g/mol
LogP3.53
Rot. Bonds5

About 1-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylphenyl]ethanone

1-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylphenyl]ethanone (PubChem CID 97186886) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is 1-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylphenyl]ethanone
PubChem CID97186886
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name1-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylphenyl]ethanone
SMILESCOc1cccc2c1OC[C@@H](Cc1cc(C(C)=O)ccc1N1CCOCC1)C2
InChIInChI=1S/C23H27NO4/c1-16(25)18-6-7-21(24-8-10-27-11-9-24)20(14-18)13-17-12-19-4-3-5-22(26-2)23(19)28-15-17/h3-7,14,17H,8-13,15H2,1-2H3/t17-/m1/s1
InChIKeyKSTMGBLUXNRVEQ-QGZVFWFLSA-N
XLogP3.53
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylphenyl]ethanone with MolForge

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Related Compounds

3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methylbenzamide
CID 72917856
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 97275621
2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide
CID 97286229
[6-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 97192014
[6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 97192015
3-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylbenzamide
CID 97269613
2-[2-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methylphenoxy]acetamide
CID 97269076
(4S)-4-[(5-acetyl-2-morpholin-4-ylphenyl)methyl]-1-phenylpyrrolidin-2-one
CID 124755909
2-methoxy-5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide
CID 72885583
N-[[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]methyl]propanamide
CID 97209832
3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine
CID 72877522
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxy-3-morpholin-4-ylbenzamide
CID 97277367

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylphenyl]ethanone?
The IUPAC name of 1-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylphenyl]ethanone (CID 97186886) is 1-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylphenyl]ethanone.
What is the SMILES notation for 1-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylphenyl]ethanone?
The canonical SMILES for 1-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylphenyl]ethanone is COc1cccc2c1OC[C@@H](Cc1cc(C(C)=O)ccc1N1CCOCC1)C2.
What is the InChIKey of 1-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylphenyl]ethanone?
The InChIKey is KSTMGBLUXNRVEQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H27NO4/c1-16(25)18-6-7-21(24-8-10-27-11-9-24)20(14-18)13-17-12-19-4-3-5-22(26-2)23(19)28-15-17/h3-7,14,17H,8-13,15H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylphenyl]ethanone?
1-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylphenyl]ethanone has a molecular weight of 381.47 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylphenyl]ethanone is sourced from PubChem (CID 97186886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).