(2R)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-2-phenylacetate

C22H19O5- — CID 2277215

IUPAC(2R)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-2-phenylacetate
SMILESCc1c(O[C@@H](C(=O)[O-])c2ccccc2)ccc2c3c(c(=O)oc12)CCCC3
InChIInChI=1S/C22H20O5/c1-13-18(26-20(21(23)24)14-7-3-2-4-8-14)12-11-16-15-9-5-6-10-17(15)22(25)27-19(13)16/h2-4,7-8,11-12,20H,5-6,9-10H2,1H3,(H,23,24)/p-1/t20-/m1/s1
InChIKeyQHHFOJMTUXHQGB-HXUWFJFHSA-M
MW363.39 g/mol
LogP2.85
Rot. Bonds4

About (2R)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-2-phenylacetate

(2R)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-2-phenylacetate (PubChem CID 2277215) has the molecular formula C22H19O5- and a molecular weight of 363.39 g/mol. Its IUPAC name is (2R)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-2-phenylacetate.

Molecular Properties

Compound Name(2R)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-2-phenylacetate
PubChem CID2277215
Molecular FormulaC22H19O5-
Molecular Weight363.39 g/mol
Exact Mass363.12
IUPAC Name(2R)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-2-phenylacetate
SMILESCc1c(O[C@@H](C(=O)[O-])c2ccccc2)ccc2c3c(c(=O)oc12)CCCC3
InChIInChI=1S/C22H20O5/c1-13-18(26-20(21(23)24)14-7-3-2-4-8-14)12-11-16-15-9-5-6-10-17(15)22(25)27-19(13)16/h2-4,7-8,11-12,20H,5-6,9-10H2,1H3,(H,23,24)/p-1/t20-/m1/s1
InChIKeyQHHFOJMTUXHQGB-HXUWFJFHSA-M
XLogP2.85
TPSA79.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze (2R)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-2-phenylacetate with MolForge

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Related Compounds

(2S)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanoate
CID 2055071
4-methyl-3-propan-2-yloxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 2274082
(2R)-2-[(3-methoxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)oxy]-2-phenylacetic acid
CID 40545307
(2R)-2-[[2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetyl]amino]-2-phenylacetic acid
CID 6353187
2-[2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanoylamino]propanoic acid
CID 3849548
N-(2-hydroxy-2-phenylethyl)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide
CID 4904438
(2S)-2-[[(2R)-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoyl]amino]propanoic acid
CID 11963701
(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 41029564
(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) furan-2-carboxylate
CID 705656
(2R)-2-[(3-methoxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)oxy]propanoate
CID 7346201
2-methylpropyl (2S)-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoate
CID 7085288
N-(3-hydroxypropyl)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide
CID 4904032

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-2-phenylacetate?
The IUPAC name of (2R)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-2-phenylacetate (CID 2277215) is (2R)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-2-phenylacetate.
What is the SMILES notation for (2R)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-2-phenylacetate?
The canonical SMILES for (2R)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-2-phenylacetate is Cc1c(O[C@@H](C(=O)[O-])c2ccccc2)ccc2c3c(c(=O)oc12)CCCC3.
What is the InChIKey of (2R)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-2-phenylacetate?
The InChIKey is QHHFOJMTUXHQGB-HXUWFJFHSA-M. The full InChI is InChI=1S/C22H20O5/c1-13-18(26-20(21(23)24)14-7-3-2-4-8-14)12-11-16-15-9-5-6-10-17(15)22(25)27-19(13)16/h2-4,7-8,11-12,20H,5-6,9-10H2,1H3,(H,23,24)/p-1/t20-/m1/s1.
What are the key properties of (2R)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-2-phenylacetate?
(2R)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-2-phenylacetate has a molecular weight of 363.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-2-phenylacetate is sourced from PubChem (CID 2277215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).