(1R)-1-(4-chlorophenyl)-3-ethoxy-1H-isoindole

C16H14ClNO — CID 129403901

IUPAC(1R)-1-(4-chlorophenyl)-3-ethoxy-1H-isoindole
SMILESCCOC1=N[C@H](c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C16H14ClNO/c1-2-19-16-14-6-4-3-5-13(14)15(18-16)11-7-9-12(17)10-8-11/h3-10,15H,2H2,1H3/t15-/m1/s1
InChIKeyMKOVVDJVPMGHST-OAHLLOKOSA-N
MW271.75 g/mol
LogP4.23
Rot. Bonds2

About (1R)-1-(4-chlorophenyl)-3-ethoxy-1H-isoindole

(1R)-1-(4-chlorophenyl)-3-ethoxy-1H-isoindole (PubChem CID 129403901) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-3-ethoxy-1H-isoindole.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-3-ethoxy-1H-isoindole
PubChem CID129403901
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name(1R)-1-(4-chlorophenyl)-3-ethoxy-1H-isoindole
SMILESCCOC1=N[C@H](c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C16H14ClNO/c1-2-19-16-14-6-4-3-5-13(14)15(18-16)11-7-9-12(17)10-8-11/h3-10,15H,2H2,1H3/t15-/m1/s1
InChIKeyMKOVVDJVPMGHST-OAHLLOKOSA-N
XLogP4.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-4-methyl-1-phenyl-1,4-dihydroisoquinoline
CID 10890781
bis(3-chloro-2-methyl-1H-inden-1-yl)-diethylsilane
CID 141235174
ethyl (4S,4aR)-4-(4-chlorophenyl)-2-methyl-5-oxo-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 6555377
2-[(2R,6S)-2-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-6-ethoxyphenol
CID 94485456
4-(4-methylphenyl)-4H-phthalazin-1-one
CID 46784026
1-benzyl-3-propoxy-1H-isoindole
CID 71160743
2-[2,4-bis(4-chlorophenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-6-ethoxyphenol
CID 20970343
trans-diethyl (2R,3S)-2-benzoyl-3-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate
CID 101491951
ethyl (2E)-2-[2-(4-chlorophenyl)-4-phenyl-4H-1,3-oxazol-5-ylidene]acetate
CID 134907929
6-(4-chlorophenyl)-5-methyl-6H-phenanthridine
CID 59051726
1-chloro-4-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]benzene
CID 101382283
(3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one
CID 738147

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-3-ethoxy-1H-isoindole?
The IUPAC name of (1R)-1-(4-chlorophenyl)-3-ethoxy-1H-isoindole (CID 129403901) is (1R)-1-(4-chlorophenyl)-3-ethoxy-1H-isoindole.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-3-ethoxy-1H-isoindole?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-3-ethoxy-1H-isoindole is CCOC1=N[C@H](c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-3-ethoxy-1H-isoindole?
The InChIKey is MKOVVDJVPMGHST-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14ClNO/c1-2-19-16-14-6-4-3-5-13(14)15(18-16)11-7-9-12(17)10-8-11/h3-10,15H,2H2,1H3/t15-/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-3-ethoxy-1H-isoindole?
(1R)-1-(4-chlorophenyl)-3-ethoxy-1H-isoindole has a molecular weight of 271.75 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-3-ethoxy-1H-isoindole is sourced from PubChem (CID 129403901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).