1-(4-fluorophenyl)-2-methylpropan-1-one;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-propan-2-ylnaphthalene

C51H57FO — CID 159254072

IUPAC1-(4-fluorophenyl)-2-methylpropan-1-one;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-propan-2-ylnaphthalene
SMILESCC(C)C(=O)c1ccc(F)cc1.CC(C)Cc1ccc2ccccc2c1.CC(C)Cc1cccc2ccccc12.CC(C)c1ccc2ccccc2c1
InChIInChI=1S/2C14H16.C13H14.C10H11FO/c1-11(2)10-13-8-5-7-12-6-3-4-9-14(12)13;1-11(2)9-12-7-8-13-5-3-4-6-14(13)10-12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-7(2)10(12)8-3-5-9(11)6-4-8/h3-9,11H,10H2,1-2H3;3-8,10-11H,9H2,1-2H3;3-10H,1-2H3;3-7H,1-2H3
InChIKeyKVQZRUZUYHJFDZ-UHFFFAOYSA-N
MW705.01 g/mol
LogP14.70
Rot. Bonds7

About 1-(4-fluorophenyl)-2-methylpropan-1-one;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-propan-2-ylnaphthalene

1-(4-fluorophenyl)-2-methylpropan-1-one;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-propan-2-ylnaphthalene (PubChem CID 159254072) has the molecular formula C51H57FO and a molecular weight of 705.01 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-methylpropan-1-one;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-propan-2-ylnaphthalene.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-methylpropan-1-one;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-propan-2-ylnaphthalene
PubChem CID159254072
Molecular FormulaC51H57FO
Molecular Weight705.01 g/mol
Exact Mass704.44
IUPAC Name1-(4-fluorophenyl)-2-methylpropan-1-one;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-propan-2-ylnaphthalene
SMILESCC(C)C(=O)c1ccc(F)cc1.CC(C)Cc1ccc2ccccc2c1.CC(C)Cc1cccc2ccccc12.CC(C)c1ccc2ccccc2c1
InChIInChI=1S/2C14H16.C13H14.C10H11FO/c1-11(2)10-13-8-5-7-12-6-3-4-9-14(12)13;1-11(2)9-12-7-8-13-5-3-4-6-14(13)10-12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-7(2)10(12)8-3-5-9(11)6-4-8/h3-9,11H,10H2,1-2H3;3-8,10-11H,9H2,1-2H3;3-10H,1-2H3;3-7H,1-2H3
InChIKeyKVQZRUZUYHJFDZ-UHFFFAOYSA-N
XLogP14.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.01
LogP ≤ 514.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cumene;2-methyl-1-[2-(2-methylpropyl)phenyl]propan-1-one;2-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-one
CID 159235371
3-naphthalen-2-yl-2-(naphthalen-1-ylmethyl)propanoic acid
CID 169444867
2,3-bis(4-fluorophenyl)-1-naphthalen-2-ylpropan-1-one
CID 135032887
1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone
CID 165436365
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CID 159192709
1-(3-naphthalen-2-ylbutyl)naphthalene
CID 173247348
1-[2-chloro-2-(4-fluorophenyl)ethyl]naphthalene
CID 63519540
1-chloro-2-methylpropane;methane;2-methyl-1-[2-(2-methylpropyl)phenyl]propan-1-one;2-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-one
CID 159064211
3-methyl-4-[3-(3-methyl-2-oxobutyl)phenyl]-1-naphthalen-2-ylbutan-2-one
CID 166677264
2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene
CID 63542085
3,5-dihydroxy-N-[(2S)-1-[[(2R)-1-(methylamino)-3-naphthalen-2-ylpropan-2-yl]amino]-3-naphthalen-1-ylpropan-2-yl]benzamide
CID 10302134
ethane;2-propan-2-ylnaphthalene
CID 142226111

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-methylpropan-1-one;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-propan-2-ylnaphthalene?
The IUPAC name of 1-(4-fluorophenyl)-2-methylpropan-1-one;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-propan-2-ylnaphthalene (CID 159254072) is 1-(4-fluorophenyl)-2-methylpropan-1-one;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-propan-2-ylnaphthalene.
What is the SMILES notation for 1-(4-fluorophenyl)-2-methylpropan-1-one;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-propan-2-ylnaphthalene?
The canonical SMILES for 1-(4-fluorophenyl)-2-methylpropan-1-one;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-propan-2-ylnaphthalene is CC(C)C(=O)c1ccc(F)cc1.CC(C)Cc1ccc2ccccc2c1.CC(C)Cc1cccc2ccccc12.CC(C)c1ccc2ccccc2c1.
What is the InChIKey of 1-(4-fluorophenyl)-2-methylpropan-1-one;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-propan-2-ylnaphthalene?
The InChIKey is KVQZRUZUYHJFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H16.C13H14.C10H11FO/c1-11(2)10-13-8-5-7-12-6-3-4-9-14(12)13;1-11(2)9-12-7-8-13-5-3-4-6-14(13)10-12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-7(2)10(12)8-3-5-9(11)6-4-8/h3-9,11H,10H2,1-2H3;3-8,10-11H,9H2,1-2H3;3-10H,1-2H3;3-7H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-methylpropan-1-one;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-propan-2-ylnaphthalene?
1-(4-fluorophenyl)-2-methylpropan-1-one;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-propan-2-ylnaphthalene has a molecular weight of 705.01 g/mol, XLogP of 14.70, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-methylpropan-1-one;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-propan-2-ylnaphthalene is sourced from PubChem (CID 159254072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).