[2,3-dimethoxy-9-(2-methylphenyl)-10H-anthracen-9-yl]-(4-methoxyphenyl)methanone

C31H28O4 — CID 163184652

IUPAC[2,3-dimethoxy-9-(2-methylphenyl)-10H-anthracen-9-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2(c3ccccc3C)c3ccccc3Cc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C31H28O4/c1-20-9-5-7-11-25(20)31(30(32)21-13-15-24(33-2)16-14-21)26-12-8-6-10-22(26)17-23-18-28(34-3)29(35-4)19-27(23)31/h5-16,18-19H,17H2,1-4H3
InChIKeyRAKSVXGUHLTHGW-UHFFFAOYSA-N
MW464.56 g/mol
LogP6.14
Rot. Bonds6

About [2,3-dimethoxy-9-(2-methylphenyl)-10H-anthracen-9-yl]-(4-methoxyphenyl)methanone

[2,3-dimethoxy-9-(2-methylphenyl)-10H-anthracen-9-yl]-(4-methoxyphenyl)methanone (PubChem CID 163184652) has the molecular formula C31H28O4 and a molecular weight of 464.56 g/mol. Its IUPAC name is [2,3-dimethoxy-9-(2-methylphenyl)-10H-anthracen-9-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2,3-dimethoxy-9-(2-methylphenyl)-10H-anthracen-9-yl]-(4-methoxyphenyl)methanone
PubChem CID163184652
Molecular FormulaC31H28O4
Molecular Weight464.56 g/mol
Exact Mass464.20
IUPAC Name[2,3-dimethoxy-9-(2-methylphenyl)-10H-anthracen-9-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2(c3ccccc3C)c3ccccc3Cc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C31H28O4/c1-20-9-5-7-11-25(20)31(30(32)21-13-15-24(33-2)16-14-21)26-12-8-6-10-22(26)17-23-18-28(34-3)29(35-4)19-27(23)31/h5-16,18-19H,17H2,1-4H3
InChIKeyRAKSVXGUHLTHGW-UHFFFAOYSA-N
XLogP6.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.56
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Cra 13
CID 9799417
C.I. Vat Green 1
CID 31410
3-Methoxy-7H-benz(de)anthracen-7-one
CID 77267
3',4'-Dimethoxy-alpha-naphthoflavone
CID 276138
1(2H)-Naphthalenone, 3,4-dihydro-2-((3,4-dimethoxyphenyl)methylene)-, (E)-
CID 756926
3,4-Dihydro-6,7-dimethoxy-1(2H)-naphthalenone
CID 266816
10-(3,4-Dimethoxybenzylidene)-9-anthrone
CID 4465027
1,2-Dimethoxyanthracene-9,10-Dione
CID 4217712
2,3,4'-Trimethoxychalcone
CID 5346378
10-(4-Methoxybenzylidene)-9-anthrone
CID 1808449
10-Piperonylidene-9-anthrone
CID 3601517
2,6-Dimethoxyanthracene-9,10-dione
CID 4589998

Frequently Asked Questions

What is the IUPAC name of [2,3-dimethoxy-9-(2-methylphenyl)-10H-anthracen-9-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [2,3-dimethoxy-9-(2-methylphenyl)-10H-anthracen-9-yl]-(4-methoxyphenyl)methanone (CID 163184652) is [2,3-dimethoxy-9-(2-methylphenyl)-10H-anthracen-9-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [2,3-dimethoxy-9-(2-methylphenyl)-10H-anthracen-9-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [2,3-dimethoxy-9-(2-methylphenyl)-10H-anthracen-9-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2(c3ccccc3C)c3ccccc3Cc3cc(OC)c(OC)cc32)cc1.
What is the InChIKey of [2,3-dimethoxy-9-(2-methylphenyl)-10H-anthracen-9-yl]-(4-methoxyphenyl)methanone?
The InChIKey is RAKSVXGUHLTHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28O4/c1-20-9-5-7-11-25(20)31(30(32)21-13-15-24(33-2)16-14-21)26-12-8-6-10-22(26)17-23-18-28(34-3)29(35-4)19-27(23)31/h5-16,18-19H,17H2,1-4H3.
What are the key properties of [2,3-dimethoxy-9-(2-methylphenyl)-10H-anthracen-9-yl]-(4-methoxyphenyl)methanone?
[2,3-dimethoxy-9-(2-methylphenyl)-10H-anthracen-9-yl]-(4-methoxyphenyl)methanone has a molecular weight of 464.56 g/mol, XLogP of 6.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dimethoxy-9-(2-methylphenyl)-10H-anthracen-9-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 163184652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).