1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol

C16H16O4 — CID 12651971

IUPAC1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol
SMILESCOc1cccc2c1C(O)c1c(OC)cccc1C2O
InChIInChI=1S/C16H16O4/c1-19-11-7-3-5-9-13(11)16(18)14-10(15(9)17)6-4-8-12(14)20-2/h3-8,15-18H,1-2H3
InChIKeyKFOVXBTVBGPJIT-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.18
Rot. Bonds2

About 1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol

1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol (PubChem CID 12651971) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol.

Molecular Properties

Compound Name1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol
PubChem CID12651971
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol
SMILESCOc1cccc2c1C(O)c1c(OC)cccc1C2O
InChIInChI=1S/C16H16O4/c1-19-11-7-3-5-9-13(11)16(18)14-10(15(9)17)6-4-8-12(14)20-2/h3-8,15-18H,1-2H3
InChIKeyKFOVXBTVBGPJIT-UHFFFAOYSA-N
XLogP2.18
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9,10-dihydroanthracene-9,10-diol;1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol;bis(2,7-dimethoxy-9,10-dihydroanthracene-9,10-diol);1-methoxy-9,10-dihydroanthracene-9,10-diol;bis(2-methoxy-9,10-dihydroanthracene-9,10-diol);1,3,6,8-tetramethoxy-9,10-dihydroanthracene-9,10-diol
CID 162158645
(7S,8R)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7,8-diol
CID 12996468
1,6,11-trimethoxy-8-methyl-5,12-dihydrotetracene-5,12-diol
CID 11176036
10,16-dimethoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15(20),16,18-nonaene-3,6-diol
CID 132777321
(1S,2S,4R)-8-methoxy-1,2,3,4-tetrahydronaphthalene-1,2,4-triol
CID 139587454
(3S,7R,12R)-3,7,12-trihydroxy-8-methoxy-3-methyl-2,4,7,12-tetrahydrobenzo[a]anthracen-1-one
CID 163005174
(3S)-5-methoxy-16-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-2,3-diol
CID 158553914
(3R,5S,6S,8S)-11-methoxyhexacyclo[8.4.0.02,5.03,8.04,7.06,9]tetradeca-1(10),11,13-triene
CID 98556362
2-methoxy-7-phenylbicyclo[4.1.0]hepta-1(6),2,4-triene
CID 174806926
(3R)-3-hydroxy-7-methoxy-2-methyl-3H-isoindol-1-one
CID 820535
1,7-dimethoxy-2,3-dihydro-1H-indene
CID 139893728
(1R,2S)-8-methoxy-1,2-dihydronaphthalene-1,2-diol
CID 11344527

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol?
The IUPAC name of 1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol (CID 12651971) is 1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol.
What is the SMILES notation for 1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol?
The canonical SMILES for 1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol is COc1cccc2c1C(O)c1c(OC)cccc1C2O.
What is the InChIKey of 1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol?
The InChIKey is KFOVXBTVBGPJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-11-7-3-5-9-13(11)16(18)14-10(15(9)17)6-4-8-12(14)20-2/h3-8,15-18H,1-2H3.
What are the key properties of 1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol?
1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol has a molecular weight of 272.30 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol is sourced from PubChem (CID 12651971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).