1-(2-hydroxy-2,3-dihydro-1H-inden-4-yl)-3-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)urea

C20H22N2O4 — CID 71599574

IUPAC1-(2-hydroxy-2,3-dihydro-1H-inden-4-yl)-3-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)urea
SMILESCOc1ccc2c(c1)OCCC2NC(=O)Nc1cccc2c1CC(O)C2
InChIInChI=1S/C20H22N2O4/c1-25-14-5-6-15-18(7-8-26-19(15)11-14)22-20(24)21-17-4-2-3-12-9-13(23)10-16(12)17/h2-6,11,13,18,23H,7-10H2,1H3,(H2,21,22,24)
InChIKeyLXSDCEDXPZMYAR-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.80
Rot. Bonds3

About 1-(2-hydroxy-2,3-dihydro-1H-inden-4-yl)-3-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)urea

1-(2-hydroxy-2,3-dihydro-1H-inden-4-yl)-3-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)urea (PubChem CID 71599574) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-(2-hydroxy-2,3-dihydro-1H-inden-4-yl)-3-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2,3-dihydro-1H-inden-4-yl)-3-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)urea
PubChem CID71599574
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name1-(2-hydroxy-2,3-dihydro-1H-inden-4-yl)-3-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)urea
SMILESCOc1ccc2c(c1)OCCC2NC(=O)Nc1cccc2c1CC(O)C2
InChIInChI=1S/C20H22N2O4/c1-25-14-5-6-15-18(7-8-26-19(15)11-14)22-20(24)21-17-4-2-3-12-9-13(23)10-16(12)17/h2-6,11,13,18,23H,7-10H2,1H3,(H2,21,22,24)
InChIKeyLXSDCEDXPZMYAR-UHFFFAOYSA-N
XLogP2.80
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-4,5-dimethylpyridine-2-carboxamide
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1-[(4R)-2,2-dimethyl-8-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]-3-[(2S)-2-hydroxy-2,3-dihydro-1H-inden-4-yl]urea
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1-[(4R)-8-chloro-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[(2S)-2-hydroxy-2,3-dihydro-1H-inden-4-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2,3-dihydro-1H-inden-4-yl)-3-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)urea?
The IUPAC name of 1-(2-hydroxy-2,3-dihydro-1H-inden-4-yl)-3-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)urea (CID 71599574) is 1-(2-hydroxy-2,3-dihydro-1H-inden-4-yl)-3-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)urea.
What is the SMILES notation for 1-(2-hydroxy-2,3-dihydro-1H-inden-4-yl)-3-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)urea?
The canonical SMILES for 1-(2-hydroxy-2,3-dihydro-1H-inden-4-yl)-3-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)urea is COc1ccc2c(c1)OCCC2NC(=O)Nc1cccc2c1CC(O)C2.
What is the InChIKey of 1-(2-hydroxy-2,3-dihydro-1H-inden-4-yl)-3-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)urea?
The InChIKey is LXSDCEDXPZMYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-14-5-6-15-18(7-8-26-19(15)11-14)22-20(24)21-17-4-2-3-12-9-13(23)10-16(12)17/h2-6,11,13,18,23H,7-10H2,1H3,(H2,21,22,24).
What are the key properties of 1-(2-hydroxy-2,3-dihydro-1H-inden-4-yl)-3-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)urea?
1-(2-hydroxy-2,3-dihydro-1H-inden-4-yl)-3-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)urea has a molecular weight of 354.41 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2,3-dihydro-1H-inden-4-yl)-3-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)urea is sourced from PubChem (CID 71599574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).