1,8-dihydroxy-10-[3-methoxy-3-(4-methoxyphenyl)propyl]-10H-anthracen-9-one

C25H24O5 — CID 67582606

IUPAC1,8-dihydroxy-10-[3-methoxy-3-(4-methoxyphenyl)propyl]-10H-anthracen-9-one
SMILESCOc1ccc(C(CCC2c3cccc(O)c3C(=O)c3c(O)cccc32)OC)cc1
InChIInChI=1S/C25H24O5/c1-29-16-11-9-15(10-12-16)22(30-2)14-13-17-18-5-3-7-20(26)23(18)25(28)24-19(17)6-4-8-21(24)27/h3-12,17,22,26-27H,13-14H2,1-2H3
InChIKeySJHVSIGEIGZYHF-UHFFFAOYSA-N
MW404.46 g/mol
LogP4.95
Rot. Bonds6

About 1,8-dihydroxy-10-[3-methoxy-3-(4-methoxyphenyl)propyl]-10H-anthracen-9-one

1,8-dihydroxy-10-[3-methoxy-3-(4-methoxyphenyl)propyl]-10H-anthracen-9-one (PubChem CID 67582606) has the molecular formula C25H24O5 and a molecular weight of 404.46 g/mol. Its IUPAC name is 1,8-dihydroxy-10-[3-methoxy-3-(4-methoxyphenyl)propyl]-10H-anthracen-9-one.

Molecular Properties

Compound Name1,8-dihydroxy-10-[3-methoxy-3-(4-methoxyphenyl)propyl]-10H-anthracen-9-one
PubChem CID67582606
Molecular FormulaC25H24O5
Molecular Weight404.46 g/mol
Exact Mass404.16
IUPAC Name1,8-dihydroxy-10-[3-methoxy-3-(4-methoxyphenyl)propyl]-10H-anthracen-9-one
SMILESCOc1ccc(C(CCC2c3cccc(O)c3C(=O)c3c(O)cccc32)OC)cc1
InChIInChI=1S/C25H24O5/c1-29-16-11-9-15(10-12-16)22(30-2)14-13-17-18-5-3-7-20(26)23(18)25(28)24-19(17)6-4-8-21(24)27/h3-12,17,22,26-27H,13-14H2,1-2H3
InChIKeySJHVSIGEIGZYHF-UHFFFAOYSA-N
XLogP4.95
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,8-dihydroxy-10-(1-methoxyhexyl)-10H-anthracen-9-one
CID 70270216
10-(4,5-dihydroxy-2-methoxy-10-oxo-9H-anthracen-9-yl)-1,8-dihydroxy-3-methoxy-10H-anthracen-9-one
CID 162871582
4-methoxy-1,4-bis(4-methoxyphenyl)butan-1-one
CID 15310595
1,8-dihydroxy-10-[1-(4-methoxyphenyl)propylidene]anthracen-9-one
CID 67584379
(10R)-10-[(9S)-4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-3-methoxy-6-methyl-10H-anthracen-9-one
CID 162887105
2-[1-(4-methoxyphenyl)ethyl]benzene-1,3-diol
CID 175586674
1-(3-bromo-1-methoxybut-3-enyl)-4-methoxybenzene
CID 102380603
1-hydroxy-4,5,8-tris(4-methoxyphenyl)anthracene-9,10-dione
CID 122206276
1-hydroxy-7-methoxyanthracene-9,10-dione
CID 10515079
methyl 4-[1-(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)prop-2-ynyl]benzoate
CID 175155891
1,8-dihydroxy-10-[2-oxo-2-(4-phenylmethoxyphenyl)ethyl]-10H-anthracen-9-one
CID 67789676
1-(4-methoxyphenyl)-4-[4-(4-methoxyphenyl)-4-sulfobutoxy]butane-1-sulfonic acid
CID 88754942

Frequently Asked Questions

What is the IUPAC name of 1,8-dihydroxy-10-[3-methoxy-3-(4-methoxyphenyl)propyl]-10H-anthracen-9-one?
The IUPAC name of 1,8-dihydroxy-10-[3-methoxy-3-(4-methoxyphenyl)propyl]-10H-anthracen-9-one (CID 67582606) is 1,8-dihydroxy-10-[3-methoxy-3-(4-methoxyphenyl)propyl]-10H-anthracen-9-one.
What is the SMILES notation for 1,8-dihydroxy-10-[3-methoxy-3-(4-methoxyphenyl)propyl]-10H-anthracen-9-one?
The canonical SMILES for 1,8-dihydroxy-10-[3-methoxy-3-(4-methoxyphenyl)propyl]-10H-anthracen-9-one is COc1ccc(C(CCC2c3cccc(O)c3C(=O)c3c(O)cccc32)OC)cc1.
What is the InChIKey of 1,8-dihydroxy-10-[3-methoxy-3-(4-methoxyphenyl)propyl]-10H-anthracen-9-one?
The InChIKey is SJHVSIGEIGZYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O5/c1-29-16-11-9-15(10-12-16)22(30-2)14-13-17-18-5-3-7-20(26)23(18)25(28)24-19(17)6-4-8-21(24)27/h3-12,17,22,26-27H,13-14H2,1-2H3.
What are the key properties of 1,8-dihydroxy-10-[3-methoxy-3-(4-methoxyphenyl)propyl]-10H-anthracen-9-one?
1,8-dihydroxy-10-[3-methoxy-3-(4-methoxyphenyl)propyl]-10H-anthracen-9-one has a molecular weight of 404.46 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dihydroxy-10-[3-methoxy-3-(4-methoxyphenyl)propyl]-10H-anthracen-9-one is sourced from PubChem (CID 67582606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).