7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H22ClNO5 — CID 18882098

IUPAC7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc2oc3c(c(=O)c2cc1Cl)C(c1cccc(OCc2ccccc2)c1)N(CCO)C3=O
InChIInChI=1S/C27H22ClNO5/c1-16-12-22-20(14-21(16)28)25(31)23-24(29(10-11-30)27(32)26(23)34-22)18-8-5-9-19(13-18)33-15-17-6-3-2-4-7-17/h2-9,12-14,24,30H,10-11,15H2,1H3
InChIKeyYKLKPSFLIWLMSB-UHFFFAOYSA-N
MW475.93 g/mol
LogP4.87
Rot. Bonds6

About 7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18882098) has the molecular formula C27H22ClNO5 and a molecular weight of 475.93 g/mol. Its IUPAC name is 7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18882098
Molecular FormulaC27H22ClNO5
Molecular Weight475.93 g/mol
Exact Mass475.12
IUPAC Name7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc2oc3c(c(=O)c2cc1Cl)C(c1cccc(OCc2ccccc2)c1)N(CCO)C3=O
InChIInChI=1S/C27H22ClNO5/c1-16-12-22-20(14-21(16)28)25(31)23-24(29(10-11-30)27(32)26(23)34-22)18-8-5-9-19(13-18)33-15-17-6-3-2-4-7-17/h2-9,12-14,24,30H,10-11,15H2,1H3
InChIKeyYKLKPSFLIWLMSB-UHFFFAOYSA-N
XLogP4.87
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.93
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-7-chloro-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882527
7-chloro-2-(2-methoxyethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882185
(1S)-7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316859
7-chloro-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882754
7-chloro-6-methyl-1-(3-phenylmethoxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882864
7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882479
2-benzyl-7-chloro-1-(3-ethoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882526
2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705727
7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134287
1-(3-ethoxyphenyl)-6,7-dimethyl-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2954335
7-chloro-6-methyl-2-[(4-methylphenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882571
6,7-dimethyl-2-(2-phenylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706796

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18882098) is 7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc2oc3c(c(=O)c2cc1Cl)C(c1cccc(OCc2ccccc2)c1)N(CCO)C3=O.
What is the InChIKey of 7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is YKLKPSFLIWLMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClNO5/c1-16-12-22-20(14-21(16)28)25(31)23-24(29(10-11-30)27(32)26(23)34-22)18-8-5-9-19(13-18)33-15-17-6-3-2-4-7-17/h2-9,12-14,24,30H,10-11,15H2,1H3.
What are the key properties of 7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 475.93 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18882098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).