10-[(1S)-3-oxo-1-phenylpentyl]-10H-anthracen-9-one

C25H22O2 — CID 46862210

IUPAC10-[(1S)-3-oxo-1-phenylpentyl]-10H-anthracen-9-one
SMILESCCC(=O)C[C@H](c1ccccc1)C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C25H22O2/c1-2-18(26)16-23(17-10-4-3-5-11-17)24-19-12-6-8-14-21(19)25(27)22-15-9-7-13-20(22)24/h3-15,23-24H,2,16H2,1H3/t23-/m1/s1
InChIKeyRQMWLQMJPVTLTG-HSZRJFAPSA-N
MW354.45 g/mol
LogP5.52
Rot. Bonds5

About 10-[(1S)-3-oxo-1-phenylpentyl]-10H-anthracen-9-one

10-[(1S)-3-oxo-1-phenylpentyl]-10H-anthracen-9-one (PubChem CID 46862210) has the molecular formula C25H22O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 10-[(1S)-3-oxo-1-phenylpentyl]-10H-anthracen-9-one.

Molecular Properties

Compound Name10-[(1S)-3-oxo-1-phenylpentyl]-10H-anthracen-9-one
PubChem CID46862210
Molecular FormulaC25H22O2
Molecular Weight354.45 g/mol
Exact Mass354.16
IUPAC Name10-[(1S)-3-oxo-1-phenylpentyl]-10H-anthracen-9-one
SMILESCCC(=O)C[C@H](c1ccccc1)C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C25H22O2/c1-2-18(26)16-23(17-10-4-3-5-11-17)24-19-12-6-8-14-21(19)25(27)22-15-9-7-13-20(22)24/h3-15,23-24H,2,16H2,1H3/t23-/m1/s1
InChIKeyRQMWLQMJPVTLTG-HSZRJFAPSA-N
XLogP5.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(9H-fluoren-9-yl)-4-phenylbutan-2-one
CID 7385778
(3S)-3-(9H-fluoren-9-yl)-1,3-diphenylpropan-1-one
CID 139084691
2-[(1R)-3-oxo-1-phenylbutyl]indene-1,3-dione
CID 98056346
2-(3-oxo-1-phenylbutyl)indene-1,3-dione
CID 519483
10-[(1S)-1-(2-methoxyphenyl)-3-oxobutyl]-10H-anthracen-9-one
CID 46862106
2-[(1R)-4,4-dimethyl-3-oxo-1-phenylpentyl]indene-1,3-dione
CID 793748
4-oxo-2-phenylhexanoic acid
CID 13284198
1-ethoxy-1-phenylpentan-3-one
CID 3736570
10-(1-hydroxy-2-oxo-2-phenylethyl)-10H-anthracen-9-one
CID 25233409
anthracene-9,10-dione;propane
CID 162068050
10-ethoxy-10H-anthracen-9-one
CID 163685880
3-(9H-fluoren-9-yl)-3-phenylpropanenitrile
CID 3386304

Frequently Asked Questions

What is the IUPAC name of 10-[(1S)-3-oxo-1-phenylpentyl]-10H-anthracen-9-one?
The IUPAC name of 10-[(1S)-3-oxo-1-phenylpentyl]-10H-anthracen-9-one (CID 46862210) is 10-[(1S)-3-oxo-1-phenylpentyl]-10H-anthracen-9-one.
What is the SMILES notation for 10-[(1S)-3-oxo-1-phenylpentyl]-10H-anthracen-9-one?
The canonical SMILES for 10-[(1S)-3-oxo-1-phenylpentyl]-10H-anthracen-9-one is CCC(=O)C[C@H](c1ccccc1)C1c2ccccc2C(=O)c2ccccc21.
What is the InChIKey of 10-[(1S)-3-oxo-1-phenylpentyl]-10H-anthracen-9-one?
The InChIKey is RQMWLQMJPVTLTG-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H22O2/c1-2-18(26)16-23(17-10-4-3-5-11-17)24-19-12-6-8-14-21(19)25(27)22-15-9-7-13-20(22)24/h3-15,23-24H,2,16H2,1H3/t23-/m1/s1.
What are the key properties of 10-[(1S)-3-oxo-1-phenylpentyl]-10H-anthracen-9-one?
10-[(1S)-3-oxo-1-phenylpentyl]-10H-anthracen-9-one has a molecular weight of 354.45 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(1S)-3-oxo-1-phenylpentyl]-10H-anthracen-9-one is sourced from PubChem (CID 46862210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).