bromobenzene;2-pentylfluoren-1-one

C24H23BrO — CID 175068754

IUPACbromobenzene;2-pentylfluoren-1-one
SMILESBrc1ccccc1.CCCCCC1=CC=C2C(=Cc3ccccc32)C1=O
InChIInChI=1S/C18H18O.C6H5Br/c1-2-3-4-7-13-10-11-16-15-9-6-5-8-14(15)12-17(16)18(13)19;7-6-4-2-1-3-5-6/h5-6,8-12H,2-4,7H2,1H3;1-5H
InChIKeyVQQNRQFWGIBYQI-UHFFFAOYSA-N
MW407.35 g/mol
LogP7.01
Rot. Bonds4

About bromobenzene;2-pentylfluoren-1-one

bromobenzene;2-pentylfluoren-1-one (PubChem CID 175068754) has the molecular formula C24H23BrO and a molecular weight of 407.35 g/mol. Its IUPAC name is bromobenzene;2-pentylfluoren-1-one.

Molecular Properties

Compound Namebromobenzene;2-pentylfluoren-1-one
PubChem CID175068754
Molecular FormulaC24H23BrO
Molecular Weight407.35 g/mol
Exact Mass406.09
IUPAC Namebromobenzene;2-pentylfluoren-1-one
SMILESBrc1ccccc1.CCCCCC1=CC=C2C(=Cc3ccccc32)C1=O
InChIInChI=1S/C18H18O.C6H5Br/c1-2-3-4-7-13-10-11-16-15-9-6-5-8-14(15)12-17(16)18(13)19;7-6-4-2-1-3-5-6/h5-6,8-12H,2-4,7H2,1H3;1-5H
InChIKeyVQQNRQFWGIBYQI-UHFFFAOYSA-N
XLogP7.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.35
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butylfluoren-1-one
CID 154133123
2-hexylnaphthalene-1,4-dione
CID 14200725
2-heptylnaphthalene-1,4-dione
CID 3016258
4-pentyl-1-sulfanylidenenaphthalen-2-one
CID 87737171
2-phenylinden-1-one
CID 10878305
bromobenzene;1-chloropentane
CID 174314793
2-(2-chloroethoxy)fluoren-1-one
CID 151398421
2,5-dipentylcyclohexa-2,5-diene-1,4-dione
CID 11149332
2,6-diheptylcyclohexa-2,5-diene-1,4-dione
CID 169217749
2-dec-3-ynylnaphthalene-1,4-dione
CID 165064818
1,3-diamino-2-bromo-4-pentylanthracene-9,10-dione
CID 70235129
5-chloro-2-dodecylnaphthalene-1,4-dione
CID 21325244

Frequently Asked Questions

What is the IUPAC name of bromobenzene;2-pentylfluoren-1-one?
The IUPAC name of bromobenzene;2-pentylfluoren-1-one (CID 175068754) is bromobenzene;2-pentylfluoren-1-one.
What is the SMILES notation for bromobenzene;2-pentylfluoren-1-one?
The canonical SMILES for bromobenzene;2-pentylfluoren-1-one is Brc1ccccc1.CCCCCC1=CC=C2C(=Cc3ccccc32)C1=O.
What is the InChIKey of bromobenzene;2-pentylfluoren-1-one?
The InChIKey is VQQNRQFWGIBYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O.C6H5Br/c1-2-3-4-7-13-10-11-16-15-9-6-5-8-14(15)12-17(16)18(13)19;7-6-4-2-1-3-5-6/h5-6,8-12H,2-4,7H2,1H3;1-5H.
What are the key properties of bromobenzene;2-pentylfluoren-1-one?
bromobenzene;2-pentylfluoren-1-one has a molecular weight of 407.35 g/mol, XLogP of 7.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromobenzene;2-pentylfluoren-1-one is sourced from PubChem (CID 175068754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).