10-[4-(3,4-dimethoxyphenyl)butanoyl]-1,8-dihydroxy-10H-anthracen-9-one

C26H24O6 — CID 10765170

IUPAC10-[4-(3,4-dimethoxyphenyl)butanoyl]-1,8-dihydroxy-10H-anthracen-9-one
SMILESCOc1ccc(CCCC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1OC
InChIInChI=1S/C26H24O6/c1-31-21-13-12-15(14-22(21)32-2)6-3-9-18(27)23-16-7-4-10-19(28)24(16)26(30)25-17(23)8-5-11-20(25)29/h4-5,7-8,10-14,23,28-29H,3,6,9H2,1-2H3
InChIKeyRMRCFMAFMUYRHE-UHFFFAOYSA-N
MW432.47 g/mol
LogP4.38
Rot. Bonds7

About 10-[4-(3,4-dimethoxyphenyl)butanoyl]-1,8-dihydroxy-10H-anthracen-9-one

10-[4-(3,4-dimethoxyphenyl)butanoyl]-1,8-dihydroxy-10H-anthracen-9-one (PubChem CID 10765170) has the molecular formula C26H24O6 and a molecular weight of 432.47 g/mol. Its IUPAC name is 10-[4-(3,4-dimethoxyphenyl)butanoyl]-1,8-dihydroxy-10H-anthracen-9-one.

Molecular Properties

Compound Name10-[4-(3,4-dimethoxyphenyl)butanoyl]-1,8-dihydroxy-10H-anthracen-9-one
PubChem CID10765170
Molecular FormulaC26H24O6
Molecular Weight432.47 g/mol
Exact Mass432.16
IUPAC Name10-[4-(3,4-dimethoxyphenyl)butanoyl]-1,8-dihydroxy-10H-anthracen-9-one
SMILESCOc1ccc(CCCC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1OC
InChIInChI=1S/C26H24O6/c1-31-21-13-12-15(14-22(21)32-2)6-3-9-18(27)23-16-7-4-10-19(28)24(16)26(30)25-17(23)8-5-11-20(25)29/h4-5,7-8,10-14,23,28-29H,3,6,9H2,1-2H3
InChIKeyRMRCFMAFMUYRHE-UHFFFAOYSA-N
XLogP4.38
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 10-[4-(3,4-dimethoxyphenyl)butanoyl]-1,8-dihydroxy-10H-anthracen-9-one with MolForge

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Related Compounds

6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
5-(4-hydroxy-3-methoxyphenyl)pentanamide
CID 66838422
1,8-dichloro-10-[(3-hydroxy-4-methoxyphenyl)methyl]-10H-anthracen-9-one
CID 46856018
4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide
CID 116846469
ethyl 5-(3,4-dimethoxyphenyl)pentanoate
CID 15833333
N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110406403
4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene
CID 166514951
11-(3,4-dimethoxyphenyl)-1-(2-hydroxy-6-phenylmethoxyphenyl)undecan-1-one
CID 166545050
8-(4-hydroxy-3-methoxyphenyl)octanoic acid
CID 25005890
methyl N-[5-(3,4-dimethoxyphenyl)pentanoylamino]carbamate
CID 11001393
4-[9-(3,4-dimethoxyphenyl)nonyl]phenol
CID 10736998
3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 70371168

Frequently Asked Questions

What is the IUPAC name of 10-[4-(3,4-dimethoxyphenyl)butanoyl]-1,8-dihydroxy-10H-anthracen-9-one?
The IUPAC name of 10-[4-(3,4-dimethoxyphenyl)butanoyl]-1,8-dihydroxy-10H-anthracen-9-one (CID 10765170) is 10-[4-(3,4-dimethoxyphenyl)butanoyl]-1,8-dihydroxy-10H-anthracen-9-one.
What is the SMILES notation for 10-[4-(3,4-dimethoxyphenyl)butanoyl]-1,8-dihydroxy-10H-anthracen-9-one?
The canonical SMILES for 10-[4-(3,4-dimethoxyphenyl)butanoyl]-1,8-dihydroxy-10H-anthracen-9-one is COc1ccc(CCCC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1OC.
What is the InChIKey of 10-[4-(3,4-dimethoxyphenyl)butanoyl]-1,8-dihydroxy-10H-anthracen-9-one?
The InChIKey is RMRCFMAFMUYRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O6/c1-31-21-13-12-15(14-22(21)32-2)6-3-9-18(27)23-16-7-4-10-19(28)24(16)26(30)25-17(23)8-5-11-20(25)29/h4-5,7-8,10-14,23,28-29H,3,6,9H2,1-2H3.
What are the key properties of 10-[4-(3,4-dimethoxyphenyl)butanoyl]-1,8-dihydroxy-10H-anthracen-9-one?
10-[4-(3,4-dimethoxyphenyl)butanoyl]-1,8-dihydroxy-10H-anthracen-9-one has a molecular weight of 432.47 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(3,4-dimethoxyphenyl)butanoyl]-1,8-dihydroxy-10H-anthracen-9-one is sourced from PubChem (CID 10765170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).