1-[4-(methoxymethyl)phenyl]-6,7-dihydro-5H-indol-4-one

C16H17NO2 — CID 141033006

IUPAC1-[4-(methoxymethyl)phenyl]-6,7-dihydro-5H-indol-4-one
SMILESCOCc1ccc(-n2ccc3c2CCCC3=O)cc1
InChIInChI=1S/C16H17NO2/c1-19-11-12-5-7-13(8-6-12)17-10-9-14-15(17)3-2-4-16(14)18/h5-10H,2-4,11H2,1H3
InChIKeyJVANTHHCKPAMBB-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.14
Rot. Bonds3

About 1-[4-(methoxymethyl)phenyl]-6,7-dihydro-5H-indol-4-one

1-[4-(methoxymethyl)phenyl]-6,7-dihydro-5H-indol-4-one (PubChem CID 141033006) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)phenyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-[4-(methoxymethyl)phenyl]-6,7-dihydro-5H-indol-4-one
PubChem CID141033006
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-[4-(methoxymethyl)phenyl]-6,7-dihydro-5H-indol-4-one
SMILESCOCc1ccc(-n2ccc3c2CCCC3=O)cc1
InChIInChI=1S/C16H17NO2/c1-19-11-12-5-7-13(8-6-12)17-10-9-14-15(17)3-2-4-16(14)18/h5-10H,2-4,11H2,1H3
InChIKeyJVANTHHCKPAMBB-UHFFFAOYSA-N
XLogP3.14
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(2-methylpropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one
CID 141032974
1-[4-[2-(cyclopropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one
CID 141032966
1-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]-6,7-dihydro-5H-indol-4-one
CID 141032996
1-[3-(dimethylamino)phenyl]-6,7-dihydro-5H-indol-4-one
CID 115379070
1-(1,3-benzothiazol-6-yl)-6,7-dihydro-5H-indol-4-one
CID 107801156
1-(2-methoxy-2-methylpropyl)-6,7-dihydro-5H-indol-4-one
CID 104765340
1-(2-methoxypropyl)-6,7-dihydro-5H-indol-4-one
CID 102700417
1-(2,4,5-trichlorophenyl)-6,7-dihydro-5H-indol-4-one
CID 63466580
1-(dimethylamino)-6,7-dihydro-5H-indol-4-one
CID 83023680
1-[(4-methylphenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109385
1-(2,4-dibromophenyl)-6,7-dihydro-5H-indol-4-one
CID 63466404
1-(3-methyl-2-propan-2-ylbutyl)-6,7-dihydro-5H-indol-4-one
CID 102907877

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)phenyl]-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-[4-(methoxymethyl)phenyl]-6,7-dihydro-5H-indol-4-one (CID 141033006) is 1-[4-(methoxymethyl)phenyl]-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-[4-(methoxymethyl)phenyl]-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-[4-(methoxymethyl)phenyl]-6,7-dihydro-5H-indol-4-one is COCc1ccc(-n2ccc3c2CCCC3=O)cc1.
What is the InChIKey of 1-[4-(methoxymethyl)phenyl]-6,7-dihydro-5H-indol-4-one?
The InChIKey is JVANTHHCKPAMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-19-11-12-5-7-13(8-6-12)17-10-9-14-15(17)3-2-4-16(14)18/h5-10H,2-4,11H2,1H3.
What are the key properties of 1-[4-(methoxymethyl)phenyl]-6,7-dihydro-5H-indol-4-one?
1-[4-(methoxymethyl)phenyl]-6,7-dihydro-5H-indol-4-one has a molecular weight of 255.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)phenyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 141033006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).