1-(4-methoxyphenyl)-2-(10-methyl-10H-anthracen-9-ylidene)ethanone

C24H20O2 — CID 59672036

IUPAC1-(4-methoxyphenyl)-2-(10-methyl-10H-anthracen-9-ylidene)ethanone
SMILESCOc1ccc(C(=O)C=C2c3ccccc3C(C)c3ccccc32)cc1
InChIInChI=1S/C24H20O2/c1-16-19-7-3-5-9-21(19)23(22-10-6-4-8-20(16)22)15-24(25)17-11-13-18(26-2)14-12-17/h3-16H,1-2H3/b23-15-
InChIKeyCLWUIYAZXPAJLM-HAHDFKILSA-N
MW340.42 g/mol
LogP5.47
Rot. Bonds3

About 1-(4-methoxyphenyl)-2-(10-methyl-10H-anthracen-9-ylidene)ethanone

1-(4-methoxyphenyl)-2-(10-methyl-10H-anthracen-9-ylidene)ethanone (PubChem CID 59672036) has the molecular formula C24H20O2 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(10-methyl-10H-anthracen-9-ylidene)ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(10-methyl-10H-anthracen-9-ylidene)ethanone
PubChem CID59672036
Molecular FormulaC24H20O2
Molecular Weight340.42 g/mol
Exact Mass340.15
IUPAC Name1-(4-methoxyphenyl)-2-(10-methyl-10H-anthracen-9-ylidene)ethanone
SMILESCOc1ccc(C(=O)C=C2c3ccccc3C(C)c3ccccc32)cc1
InChIInChI=1S/C24H20O2/c1-16-19-7-3-5-9-21(19)23(22-10-6-4-8-20(16)22)15-24(25)17-11-13-18(26-2)14-12-17/h3-16H,1-2H3/b23-15-
InChIKeyCLWUIYAZXPAJLM-HAHDFKILSA-N
XLogP5.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.42
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_B(8)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2,3-dimethyl-3H-inden-1-yl)-(4-methoxyphenyl)methanone
CID 102031731
(10E)-1,5-dichloro-10-[2-(4-methoxyphenyl)-2-oxoethylidene]anthracen-9-one
CID 46854073
3,3-dibromo-1-(4-methoxyphenyl)prop-2-en-1-one
CID 135039822
(E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one
CID 135075979
2-(10-methylacridin-9-ylidene)-1-phenylethanone
CID 3797236
(Z)-1-(4-methoxyphenyl)-3-phenyl-3-phenylselanylprop-2-en-1-one
CID 15851628
(Z)-4,4,4-trifluoro-1-(4-methoxyphenyl)-3-phenylbut-2-en-1-one
CID 102451178
3-chloro-1-(4-methoxyphenyl)prop-2-en-1-one
CID 27468
CID 59098785
CID 59098785
(Z)-3-alumanyloxy-1,3-bis(4-methoxyphenyl)prop-2-en-1-one
CID 157274158
(2E)-1-(4-methoxyphenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)ethanone
CID 5412567
(E)-3-[2-(dimethylamino)phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one
CID 6058579

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(10-methyl-10H-anthracen-9-ylidene)ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-(10-methyl-10H-anthracen-9-ylidene)ethanone (CID 59672036) is 1-(4-methoxyphenyl)-2-(10-methyl-10H-anthracen-9-ylidene)ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(10-methyl-10H-anthracen-9-ylidene)ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(10-methyl-10H-anthracen-9-ylidene)ethanone is COc1ccc(C(=O)C=C2c3ccccc3C(C)c3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(10-methyl-10H-anthracen-9-ylidene)ethanone?
The InChIKey is CLWUIYAZXPAJLM-HAHDFKILSA-N. The full InChI is InChI=1S/C24H20O2/c1-16-19-7-3-5-9-21(19)23(22-10-6-4-8-20(16)22)15-24(25)17-11-13-18(26-2)14-12-17/h3-16H,1-2H3/b23-15-.
What are the key properties of 1-(4-methoxyphenyl)-2-(10-methyl-10H-anthracen-9-ylidene)ethanone?
1-(4-methoxyphenyl)-2-(10-methyl-10H-anthracen-9-ylidene)ethanone has a molecular weight of 340.42 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(10-methyl-10H-anthracen-9-ylidene)ethanone is sourced from PubChem (CID 59672036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).