(10R)-3,8,10-trihydroxy-1,7,10-trimethyl-9-oxoanthracene-2-carboxylic acid

C18H16O6 — CID 102135524

IUPAC(10R)-3,8,10-trihydroxy-1,7,10-trimethyl-9-oxoanthracene-2-carboxylic acid
SMILESCc1ccc2c(c1O)C(=O)c1c(cc(O)c(C(=O)O)c1C)[C@@]2(C)O
InChIInChI=1S/C18H16O6/c1-7-4-5-9-14(15(7)20)16(21)12-8(2)13(17(22)23)11(19)6-10(12)18(9,3)24/h4-6,19-20,24H,1-3H3,(H,22,23)/t18-/m0/s1
InChIKeyPNVBFQKQGYNSAB-SFHVURJKSA-N
MW328.32 g/mol
LogP2.21
Rot. Bonds1

About (10R)-3,8,10-trihydroxy-1,7,10-trimethyl-9-oxoanthracene-2-carboxylic acid

(10R)-3,8,10-trihydroxy-1,7,10-trimethyl-9-oxoanthracene-2-carboxylic acid (PubChem CID 102135524) has the molecular formula C18H16O6 and a molecular weight of 328.32 g/mol. Its IUPAC name is (10R)-3,8,10-trihydroxy-1,7,10-trimethyl-9-oxoanthracene-2-carboxylic acid.

Molecular Properties

Compound Name(10R)-3,8,10-trihydroxy-1,7,10-trimethyl-9-oxoanthracene-2-carboxylic acid
PubChem CID102135524
Molecular FormulaC18H16O6
Molecular Weight328.32 g/mol
Exact Mass328.09
IUPAC Name(10R)-3,8,10-trihydroxy-1,7,10-trimethyl-9-oxoanthracene-2-carboxylic acid
SMILESCc1ccc2c(c1O)C(=O)c1c(cc(O)c(C(=O)O)c1C)[C@@]2(C)O
InChIInChI=1S/C18H16O6/c1-7-4-5-9-14(15(7)20)16(21)12-8(2)13(17(22)23)11(19)6-10(12)18(9,3)24/h4-6,19-20,24H,1-3H3,(H,22,23)/t18-/m0/s1
InChIKeyPNVBFQKQGYNSAB-SFHVURJKSA-N
XLogP2.21
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (10R)-3,8,10-trihydroxy-1,7,10-trimethyl-9-oxoanthracene-2-carboxylic acid with MolForge

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Related Compounds

(10S)-3,8,10-trihydroxy-1,10-dimethyl-9-oxoanthracene-2-carboxylic acid
CID 95790126
(5S)-5,9-dihydroxy-1,3,5,8-tetramethylbenzo[g]isoquinolin-10-one
CID 146683962
(10S)-1,6,10-trihydroxy-2-(hydroxymethyl)-8,10-dimethylanthracen-9-one
CID 162965688
(10R)-1,6,10-trihydroxy-2-(hydroxymethyl)-8,10-dimethylanthracen-9-one
CID 169491879
2-[3-(3-amino-3-oxopropanoyl)-4,5,9-trihydroxy-9-methyl-10-oxoanthracen-2-yl]acetic acid
CID 162905004
1,5,8-trihydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
CID 162872579
4,6-dihydroxy-2,3-dimethylbenzoic acid
CID 71365885
2-hydroxy-3,5,6-trimethylbenzoic acid
CID 23352517
1,8-dihydroxy-2,7-dimethylanthracene-9,10-dione
CID 102067248
3-hydroxy-2,4,6-trimethylbenzoic acid
CID 84657275
3-hydroxy-4-methylphthalic acid
CID 139814560
3,9-dihydroxy-1-methyl-8,10-dioxo-6,7-dihydroanthracene-2-carboxylic acid
CID 166704127

Frequently Asked Questions

What is the IUPAC name of (10R)-3,8,10-trihydroxy-1,7,10-trimethyl-9-oxoanthracene-2-carboxylic acid?
The IUPAC name of (10R)-3,8,10-trihydroxy-1,7,10-trimethyl-9-oxoanthracene-2-carboxylic acid (CID 102135524) is (10R)-3,8,10-trihydroxy-1,7,10-trimethyl-9-oxoanthracene-2-carboxylic acid.
What is the SMILES notation for (10R)-3,8,10-trihydroxy-1,7,10-trimethyl-9-oxoanthracene-2-carboxylic acid?
The canonical SMILES for (10R)-3,8,10-trihydroxy-1,7,10-trimethyl-9-oxoanthracene-2-carboxylic acid is Cc1ccc2c(c1O)C(=O)c1c(cc(O)c(C(=O)O)c1C)[C@@]2(C)O.
What is the InChIKey of (10R)-3,8,10-trihydroxy-1,7,10-trimethyl-9-oxoanthracene-2-carboxylic acid?
The InChIKey is PNVBFQKQGYNSAB-SFHVURJKSA-N. The full InChI is InChI=1S/C18H16O6/c1-7-4-5-9-14(15(7)20)16(21)12-8(2)13(17(22)23)11(19)6-10(12)18(9,3)24/h4-6,19-20,24H,1-3H3,(H,22,23)/t18-/m0/s1.
What are the key properties of (10R)-3,8,10-trihydroxy-1,7,10-trimethyl-9-oxoanthracene-2-carboxylic acid?
(10R)-3,8,10-trihydroxy-1,7,10-trimethyl-9-oxoanthracene-2-carboxylic acid has a molecular weight of 328.32 g/mol, XLogP of 2.21, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-3,8,10-trihydroxy-1,7,10-trimethyl-9-oxoanthracene-2-carboxylic acid is sourced from PubChem (CID 102135524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).