1-(4-hydroxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-one

C20H19NO2 — CID 21446102

IUPAC1-(4-hydroxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-one
SMILESO=C1C(c2ccccc2)=C2CCCCC2N1c1ccc(O)cc1
InChIInChI=1S/C20H19NO2/c22-16-12-10-15(11-13-16)21-18-9-5-4-8-17(18)19(20(21)23)14-6-2-1-3-7-14/h1-3,6-7,10-13,18,22H,4-5,8-9H2
InChIKeySYHIKDRXUHDGPD-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.14
Rot. Bonds2

About 1-(4-hydroxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-one

1-(4-hydroxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-one (PubChem CID 21446102) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-one.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-one
PubChem CID21446102
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name1-(4-hydroxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-one
SMILESO=C1C(c2ccccc2)=C2CCCCC2N1c1ccc(O)cc1
InChIInChI=1S/C20H19NO2/c22-16-12-10-15(11-13-16)21-18-9-5-4-8-17(18)19(20(21)23)14-6-2-1-3-7-14/h1-3,6-7,10-13,18,22H,4-5,8-9H2
InChIKeySYHIKDRXUHDGPD-UHFFFAOYSA-N
XLogP4.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-one
CID 11439021
[1-(4-cyanophenyl)-2-oxo-5,6,7,7a-tetrahydro-4H-indol-3-yl] acetate
CID 24936794
(3R)-3-hydroxy-2-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-3H-isoindol-1-one
CID 7316341
4-(2-phenyl-3,4-dihydro-2H-quinolin-1-yl)phenol
CID 21398511
(3S)-3-hydroxy-2-(2-phenylethyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one
CID 7299547
(1S,2S,6R,7R)-4-phenyl-4-azatetracyclo[13.6.0.02,6.07,14]henicos-14-ene-3,5-dione
CID 22296712
(3aR,7aR)-2-(4-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7035661
3-phenyl-4,5,6,6a-tetrahydrocyclopenta[b]furan-2-one
CID 86097455
1-cyclooctyl-3-(2-hydroxyethylsulfanyl)-4-phenylpyrrole-2,5-dione
CID 110559704
benzene-1,4-diol;bis(1,1'-biphenyl)
CID 161250566
2-(2-methylidenecyclohexyl)isoindole-1,3-dione
CID 86708961
(9aR)-3,9-diphenyl-4,5,6,7,8,9a-hexahydrofuro[2,3-b]azocin-2-one
CID 134960657

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-one?
The IUPAC name of 1-(4-hydroxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-one (CID 21446102) is 1-(4-hydroxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-one.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-one?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-one is O=C1C(c2ccccc2)=C2CCCCC2N1c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-one?
The InChIKey is SYHIKDRXUHDGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c22-16-12-10-15(11-13-16)21-18-9-5-4-8-17(18)19(20(21)23)14-6-2-1-3-7-14/h1-3,6-7,10-13,18,22H,4-5,8-9H2.
What are the key properties of 1-(4-hydroxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-one?
1-(4-hydroxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-one has a molecular weight of 305.38 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-one is sourced from PubChem (CID 21446102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).