1-(7-methoxy-4a-methyl-6-phenylmethoxy-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone

C23H27NO3 — CID 561048

IUPAC1-(7-methoxy-4a-methyl-6-phenylmethoxy-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone
SMILESCOc1cc2c(cc1OCc1ccccc1)C1(C)CCCCC1N2C(C)=O
InChIInChI=1S/C23H27NO3/c1-16(25)24-19-14-20(26-3)21(27-15-17-9-5-4-6-10-17)13-18(19)23(2)12-8-7-11-22(23)24/h4-6,9-10,13-14,22H,7-8,11-12,15H2,1-3H3
InChIKeyHBPJKAPZHZVFHW-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.84
Rot. Bonds4

About 1-(7-methoxy-4a-methyl-6-phenylmethoxy-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone

1-(7-methoxy-4a-methyl-6-phenylmethoxy-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone (PubChem CID 561048) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 1-(7-methoxy-4a-methyl-6-phenylmethoxy-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone.

Molecular Properties

Compound Name1-(7-methoxy-4a-methyl-6-phenylmethoxy-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone
PubChem CID561048
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name1-(7-methoxy-4a-methyl-6-phenylmethoxy-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone
SMILESCOc1cc2c(cc1OCc1ccccc1)C1(C)CCCCC1N2C(C)=O
InChIInChI=1S/C23H27NO3/c1-16(25)24-19-14-20(26-3)21(27-15-17-9-5-4-6-10-17)13-18(19)23(2)12-8-7-11-22(23)24/h4-6,9-10,13-14,22H,7-8,11-12,15H2,1-3H3
InChIKeyHBPJKAPZHZVFHW-UHFFFAOYSA-N
XLogP4.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-4a-methyl-6-phenylmethoxy-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone?
The IUPAC name of 1-(7-methoxy-4a-methyl-6-phenylmethoxy-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone (CID 561048) is 1-(7-methoxy-4a-methyl-6-phenylmethoxy-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone.
What is the SMILES notation for 1-(7-methoxy-4a-methyl-6-phenylmethoxy-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone?
The canonical SMILES for 1-(7-methoxy-4a-methyl-6-phenylmethoxy-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone is COc1cc2c(cc1OCc1ccccc1)C1(C)CCCCC1N2C(C)=O.
What is the InChIKey of 1-(7-methoxy-4a-methyl-6-phenylmethoxy-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone?
The InChIKey is HBPJKAPZHZVFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-16(25)24-19-14-20(26-3)21(27-15-17-9-5-4-6-10-17)13-18(19)23(2)12-8-7-11-22(23)24/h4-6,9-10,13-14,22H,7-8,11-12,15H2,1-3H3.
What are the key properties of 1-(7-methoxy-4a-methyl-6-phenylmethoxy-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone?
1-(7-methoxy-4a-methyl-6-phenylmethoxy-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone has a molecular weight of 365.47 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-4a-methyl-6-phenylmethoxy-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)ethanone is sourced from PubChem (CID 561048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).