1,8-dihydroxy-2,7-di(propan-2-yl)-10H-anthracen-9-one

C20H22O3 — CID 20542345

IUPAC1,8-dihydroxy-2,7-di(propan-2-yl)-10H-anthracen-9-one
SMILESCC(C)c1ccc2c(c1O)C(=O)c1c(ccc(C(C)C)c1O)C2
InChIInChI=1S/C20H22O3/c1-10(2)14-7-5-12-9-13-6-8-15(11(3)4)19(22)17(13)20(23)16(12)18(14)21/h5-8,10-11,21-22H,9H2,1-4H3
InChIKeyWXYZAWRACLNXEH-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.48
Rot. Bonds2

About 1,8-dihydroxy-2,7-di(propan-2-yl)-10H-anthracen-9-one

1,8-dihydroxy-2,7-di(propan-2-yl)-10H-anthracen-9-one (PubChem CID 20542345) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 1,8-dihydroxy-2,7-di(propan-2-yl)-10H-anthracen-9-one.

Molecular Properties

Compound Name1,8-dihydroxy-2,7-di(propan-2-yl)-10H-anthracen-9-one
PubChem CID20542345
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name1,8-dihydroxy-2,7-di(propan-2-yl)-10H-anthracen-9-one
SMILESCC(C)c1ccc2c(c1O)C(=O)c1c(ccc(C(C)C)c1O)C2
InChIInChI=1S/C20H22O3/c1-10(2)14-7-5-12-9-13-6-8-15(11(3)4)19(22)17(13)20(23)16(12)18(14)21/h5-8,10-11,21-22H,9H2,1-4H3
InChIKeyWXYZAWRACLNXEH-UHFFFAOYSA-N
XLogP4.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,8-dihydroxy-2,7-di(propan-2-yl)-10H-anthracen-9-one?
The IUPAC name of 1,8-dihydroxy-2,7-di(propan-2-yl)-10H-anthracen-9-one (CID 20542345) is 1,8-dihydroxy-2,7-di(propan-2-yl)-10H-anthracen-9-one.
What is the SMILES notation for 1,8-dihydroxy-2,7-di(propan-2-yl)-10H-anthracen-9-one?
The canonical SMILES for 1,8-dihydroxy-2,7-di(propan-2-yl)-10H-anthracen-9-one is CC(C)c1ccc2c(c1O)C(=O)c1c(ccc(C(C)C)c1O)C2.
What is the InChIKey of 1,8-dihydroxy-2,7-di(propan-2-yl)-10H-anthracen-9-one?
The InChIKey is WXYZAWRACLNXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-10(2)14-7-5-12-9-13-6-8-15(11(3)4)19(22)17(13)20(23)16(12)18(14)21/h5-8,10-11,21-22H,9H2,1-4H3.
What are the key properties of 1,8-dihydroxy-2,7-di(propan-2-yl)-10H-anthracen-9-one?
1,8-dihydroxy-2,7-di(propan-2-yl)-10H-anthracen-9-one has a molecular weight of 310.39 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dihydroxy-2,7-di(propan-2-yl)-10H-anthracen-9-one is sourced from PubChem (CID 20542345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).