1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one

C26H19ClO — CID 130380057

IUPAC1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one
SMILESCC1C=CC2=C(C(=O)c3ccccc32)C1c1cc(Cl)cc(-c2ccccc2)c1
InChIInChI=1S/C26H19ClO/c1-16-11-12-22-21-9-5-6-10-23(21)26(28)25(22)24(16)19-13-18(14-20(27)15-19)17-7-3-2-4-8-17/h2-16,24H,1H3
InChIKeyRRVBQHQUCHQGTK-UHFFFAOYSA-N
MW382.89 g/mol
LogP6.95
Rot. Bonds2

About 1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one

1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one (PubChem CID 130380057) has the molecular formula C26H19ClO and a molecular weight of 382.89 g/mol. Its IUPAC name is 1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one.

Molecular Properties

Compound Name1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one
PubChem CID130380057
Molecular FormulaC26H19ClO
Molecular Weight382.89 g/mol
Exact Mass382.11
IUPAC Name1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one
SMILESCC1C=CC2=C(C(=O)c3ccccc32)C1c1cc(Cl)cc(-c2ccccc2)c1
InChIInChI=1S/C26H19ClO/c1-16-11-12-22-21-9-5-6-10-23(21)26(28)25(22)24(16)19-13-18(14-20(27)15-19)17-7-3-2-4-8-17/h2-16,24H,1H3
InChIKeyRRVBQHQUCHQGTK-UHFFFAOYSA-N
XLogP6.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.89
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one?
The IUPAC name of 1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one (CID 130380057) is 1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one.
What is the SMILES notation for 1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one?
The canonical SMILES for 1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one is CC1C=CC2=C(C(=O)c3ccccc32)C1c1cc(Cl)cc(-c2ccccc2)c1.
What is the InChIKey of 1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one?
The InChIKey is RRVBQHQUCHQGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClO/c1-16-11-12-22-21-9-5-6-10-23(21)26(28)25(22)24(16)19-13-18(14-20(27)15-19)17-7-3-2-4-8-17/h2-16,24H,1H3.
What are the key properties of 1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one?
1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one has a molecular weight of 382.89 g/mol, XLogP of 6.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one is sourced from PubChem (CID 130380057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).