1-(9,9-dibutyl-7-methoxyfluoren-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-one

C30H41NO3 — CID 138655842

IUPAC1-(9,9-dibutyl-7-methoxyfluoren-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCCCCC1(CCCC)c2cc(OC)ccc2-c2ccc(C(=O)C(C)(C)N3CCOCC3)cc21
InChIInChI=1S/C30H41NO3/c1-6-8-14-30(15-9-7-2)26-20-22(28(32)29(3,4)31-16-18-34-19-17-31)10-12-24(26)25-13-11-23(33-5)21-27(25)30/h10-13,20-21H,6-9,14-19H2,1-5H3
InChIKeySRQBTFODWKVEGV-UHFFFAOYSA-N
MW463.66 g/mol
LogP6.64
Rot. Bonds10

About 1-(9,9-dibutyl-7-methoxyfluoren-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-one

1-(9,9-dibutyl-7-methoxyfluoren-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-one (PubChem CID 138655842) has the molecular formula C30H41NO3 and a molecular weight of 463.66 g/mol. Its IUPAC name is 1-(9,9-dibutyl-7-methoxyfluoren-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(9,9-dibutyl-7-methoxyfluoren-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
PubChem CID138655842
Molecular FormulaC30H41NO3
Molecular Weight463.66 g/mol
Exact Mass463.31
IUPAC Name1-(9,9-dibutyl-7-methoxyfluoren-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCCCCC1(CCCC)c2cc(OC)ccc2-c2ccc(C(=O)C(C)(C)N3CCOCC3)cc21
InChIInChI=1S/C30H41NO3/c1-6-8-14-30(15-9-7-2)26-20-22(28(32)29(3,4)31-16-18-34-19-17-31)10-12-24(26)25-13-11-23(33-5)21-27(25)30/h10-13,20-21H,6-9,14-19H2,1-5H3
InChIKeySRQBTFODWKVEGV-UHFFFAOYSA-N
XLogP6.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.66
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(9,9-dibutyl-7-methoxyfluoren-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-one with MolForge

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Related Compounds

1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19866996
2-methyl-1-[6-(2-methyl-2-morpholin-4-ylpropanoyl)-9-octylcarbazol-3-yl]-2-morpholin-4-ylpropan-1-one
CID 4175151
9,9-dihexylfluorene-2,7-dicarboxylic acid
CID 23089428
1-(4-butylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19879444
2-methyl-2-morpholin-4-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
CID 19879459
2-(2-methyl-2-morpholin-4-ylpropanoyl)fluoren-9-one
CID 19879395
[(E)-[1-[6-(2-methyl-2-morpholin-4-ylpropanoyl)-9H-fluoren-3-yl]-1-oxooctan-2-ylidene]amino] acetate
CID 162463529
2-methyl-1-[8-(2-methyl-2-morpholin-4-ylpropanoyl)thianthren-2-yl]-2-morpholin-4-ylpropan-1-one
CID 23325710
1-[4-[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19866835
2-methyl-1-[4-[methyl-bis(trimethylsilyloxy)silyl]oxyphenyl]-2-morpholin-4-ylpropan-1-one
CID 18728755
1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19867019
2-methyl-2-morpholin-4-yl-1-[4-(3-trimethoxysilylpropylsulfanyl)phenyl]propan-1-one
CID 58085412

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dibutyl-7-methoxyfluoren-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(9,9-dibutyl-7-methoxyfluoren-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-one (CID 138655842) is 1-(9,9-dibutyl-7-methoxyfluoren-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(9,9-dibutyl-7-methoxyfluoren-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(9,9-dibutyl-7-methoxyfluoren-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-one is CCCCC1(CCCC)c2cc(OC)ccc2-c2ccc(C(=O)C(C)(C)N3CCOCC3)cc21.
What is the InChIKey of 1-(9,9-dibutyl-7-methoxyfluoren-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The InChIKey is SRQBTFODWKVEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41NO3/c1-6-8-14-30(15-9-7-2)26-20-22(28(32)29(3,4)31-16-18-34-19-17-31)10-12-24(26)25-13-11-23(33-5)21-27(25)30/h10-13,20-21H,6-9,14-19H2,1-5H3.
What are the key properties of 1-(9,9-dibutyl-7-methoxyfluoren-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-one?
1-(9,9-dibutyl-7-methoxyfluoren-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-one has a molecular weight of 463.66 g/mol, XLogP of 6.64, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-dibutyl-7-methoxyfluoren-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 138655842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).