10-[(1R)-1-(4-methoxyphenyl)prop-2-ynyl]-10H-anthracen-9-one

C24H18O2 — CID 156782760

IUPAC10-[(1R)-1-(4-methoxyphenyl)prop-2-ynyl]-10H-anthracen-9-one
SMILESC#C[C@H](c1ccc(OC)cc1)C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C24H18O2/c1-3-18(16-12-14-17(26-2)15-13-16)23-19-8-4-6-10-21(19)24(25)22-11-7-5-9-20(22)23/h1,4-15,18,23H,2H3/t18-/m1/s1
InChIKeyXZAMFXNPXCXQBK-GOSISDBHSA-N
MW338.41 g/mol
LogP4.79
Rot. Bonds3

About 10-[(1R)-1-(4-methoxyphenyl)prop-2-ynyl]-10H-anthracen-9-one

10-[(1R)-1-(4-methoxyphenyl)prop-2-ynyl]-10H-anthracen-9-one (PubChem CID 156782760) has the molecular formula C24H18O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 10-[(1R)-1-(4-methoxyphenyl)prop-2-ynyl]-10H-anthracen-9-one.

Molecular Properties

Compound Name10-[(1R)-1-(4-methoxyphenyl)prop-2-ynyl]-10H-anthracen-9-one
PubChem CID156782760
Molecular FormulaC24H18O2
Molecular Weight338.41 g/mol
Exact Mass338.13
IUPAC Name10-[(1R)-1-(4-methoxyphenyl)prop-2-ynyl]-10H-anthracen-9-one
SMILESC#C[C@H](c1ccc(OC)cc1)C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C24H18O2/c1-3-18(16-12-14-17(26-2)15-13-16)23-19-8-4-6-10-21(19)24(25)22-11-7-5-9-20(22)23/h1,4-15,18,23H,2H3/t18-/m1/s1
InChIKeyXZAMFXNPXCXQBK-GOSISDBHSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-[1-(2-methylphenyl)prop-2-ynyl]-10H-anthracen-9-one
CID 175146212
anthracene-9,10-dione;ethane;4-methoxyphenol
CID 90695266
1-(3-methoxy-9H-fluoren-9-yl)but-3-yn-1-ol
CID 88897284
1-[(1S,2R)-1-ethynyl-2-(4-methoxyphenyl)but-3-ynyl]-4-methoxybenzene
CID 132575101
3-[hydroxy-(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one
CID 3261908
10-[methoxy-(2,3,4,5,6-pentamethoxyphenyl)methyl]-10H-anthracen-9-one
CID 141111063
2,3-bis(4-methoxyphenyl)inden-1-one
CID 10991496
9-(4-methoxyphenyl)sulfonyl-9H-fluorene
CID 11450528
3-(4-methoxyphenyl)-3H-2-benzofuran-1-one
CID 10955671
10-[(1S)-1-(2-methoxyphenyl)-3-oxobutyl]-10H-anthracen-9-one
CID 46862106
3-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one
CID 3653878
(3-oxo-1H-2-benzofuran-1-yl) 2-(6-methoxynaphthalen-2-yl)propanoate
CID 13048745

Frequently Asked Questions

What is the IUPAC name of 10-[(1R)-1-(4-methoxyphenyl)prop-2-ynyl]-10H-anthracen-9-one?
The IUPAC name of 10-[(1R)-1-(4-methoxyphenyl)prop-2-ynyl]-10H-anthracen-9-one (CID 156782760) is 10-[(1R)-1-(4-methoxyphenyl)prop-2-ynyl]-10H-anthracen-9-one.
What is the SMILES notation for 10-[(1R)-1-(4-methoxyphenyl)prop-2-ynyl]-10H-anthracen-9-one?
The canonical SMILES for 10-[(1R)-1-(4-methoxyphenyl)prop-2-ynyl]-10H-anthracen-9-one is C#C[C@H](c1ccc(OC)cc1)C1c2ccccc2C(=O)c2ccccc21.
What is the InChIKey of 10-[(1R)-1-(4-methoxyphenyl)prop-2-ynyl]-10H-anthracen-9-one?
The InChIKey is XZAMFXNPXCXQBK-GOSISDBHSA-N. The full InChI is InChI=1S/C24H18O2/c1-3-18(16-12-14-17(26-2)15-13-16)23-19-8-4-6-10-21(19)24(25)22-11-7-5-9-20(22)23/h1,4-15,18,23H,2H3/t18-/m1/s1.
What are the key properties of 10-[(1R)-1-(4-methoxyphenyl)prop-2-ynyl]-10H-anthracen-9-one?
10-[(1R)-1-(4-methoxyphenyl)prop-2-ynyl]-10H-anthracen-9-one has a molecular weight of 338.41 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(1R)-1-(4-methoxyphenyl)prop-2-ynyl]-10H-anthracen-9-one is sourced from PubChem (CID 156782760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).