9-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-carbazol-4-one

C20H19NO2 — CID 10017977

IUPAC9-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-carbazol-4-one
SMILESCOc1ccc(Cn2c3c(c4ccccc42)C(=O)CCC3)cc1
InChIInChI=1S/C20H19NO2/c1-23-15-11-9-14(10-12-15)13-21-17-6-3-2-5-16(17)20-18(21)7-4-8-19(20)22/h2-3,5-6,9-12H,4,7-8,13H2,1H3
InChIKeyGMZVWXQVHDHCNT-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.22
Rot. Bonds3

About 9-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-carbazol-4-one

9-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-carbazol-4-one (PubChem CID 10017977) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 9-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-carbazol-4-one.

Molecular Properties

Compound Name9-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-carbazol-4-one
PubChem CID10017977
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name9-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-carbazol-4-one
SMILESCOc1ccc(Cn2c3c(c4ccccc42)C(=O)CCC3)cc1
InChIInChI=1S/C20H19NO2/c1-23-15-11-9-14(10-12-15)13-21-17-6-3-2-5-16(17)20-18(21)7-4-8-19(20)22/h2-3,5-6,9-12H,4,7-8,13H2,1H3
InChIKeyGMZVWXQVHDHCNT-UHFFFAOYSA-N
XLogP4.22
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-benzyl-7-nitro-2,3-dihydro-1H-carbazol-4-one
CID 135017217
3-hydroxy-4-(3-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one
CID 101462188
1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxoquinoline-3-carbonitrile
CID 166437920
5,5-bis(ethenyl)-8-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-1,2,6,7-tetrahydroazonino[5,4-b]indol-4-one
CID 134963062
1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol
CID 2142444
9-benzyl-5-oxo-7,8-dihydro-6H-carbazole-1-carboxylic acid
CID 44564826
3-[12-hydroxy-8-[(4-methoxyphenyl)methyl]-14-oxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoic acid
CID 123294713
9-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,2,3,4-tetrahydrocarbazole
CID 102361610
10-benzyl-3-methoxyacridin-9-one
CID 12751573
5-benzyl-8-methoxybenzo[b]carbazole-6,11-dione
CID 12049959
3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one
CID 12751575
4-oxo-2,3-dihydro-1H-carbazole-9-carboxylic acid
CID 166731468

Frequently Asked Questions

What is the IUPAC name of 9-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-carbazol-4-one?
The IUPAC name of 9-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-carbazol-4-one (CID 10017977) is 9-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-carbazol-4-one.
What is the SMILES notation for 9-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-carbazol-4-one?
The canonical SMILES for 9-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-carbazol-4-one is COc1ccc(Cn2c3c(c4ccccc42)C(=O)CCC3)cc1.
What is the InChIKey of 9-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-carbazol-4-one?
The InChIKey is GMZVWXQVHDHCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-23-15-11-9-14(10-12-15)13-21-17-6-3-2-5-16(17)20-18(21)7-4-8-19(20)22/h2-3,5-6,9-12H,4,7-8,13H2,1H3.
What are the key properties of 9-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-carbazol-4-one?
9-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-carbazol-4-one has a molecular weight of 305.38 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-carbazol-4-one is sourced from PubChem (CID 10017977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).