1,3,4,5,6,7,8,9,10-nonamethylanthracen-2-ol

C23H28O — CID 129267856

IUPAC1,3,4,5,6,7,8,9,10-nonamethylanthracen-2-ol
SMILESCc1c(C)c(C)c2c(C)c3c(C)c(O)c(C)c(C)c3c(C)c2c1C
InChIInChI=1S/C23H28O/c1-10-11(2)13(4)20-17(8)22-18(9)23(24)15(6)14(5)21(22)16(7)19(20)12(10)3/h24H,1-9H3
InChIKeyMWNFYHUAXCOCTQ-UHFFFAOYSA-N
MW320.48 g/mol
LogP6.47
Rot. Bonds

About 1,3,4,5,6,7,8,9,10-nonamethylanthracen-2-ol

1,3,4,5,6,7,8,9,10-nonamethylanthracen-2-ol (PubChem CID 129267856) has the molecular formula C23H28O and a molecular weight of 320.48 g/mol. Its IUPAC name is 1,3,4,5,6,7,8,9,10-nonamethylanthracen-2-ol.

Molecular Properties

Compound Name1,3,4,5,6,7,8,9,10-nonamethylanthracen-2-ol
PubChem CID129267856
Molecular FormulaC23H28O
Molecular Weight320.48 g/mol
Exact Mass320.21
IUPAC Name1,3,4,5,6,7,8,9,10-nonamethylanthracen-2-ol
SMILESCc1c(C)c(C)c2c(C)c3c(C)c(O)c(C)c(C)c3c(C)c2c1C
InChIInChI=1S/C23H28O/c1-10-11(2)13(4)20-17(8)22-18(9)23(24)15(6)14(5)21(22)16(7)19(20)12(10)3/h24H,1-9H3
InChIKeyMWNFYHUAXCOCTQ-UHFFFAOYSA-N
XLogP6.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,6,7,8,9,10-nonamethylanthracen-2-ol?
The IUPAC name of 1,3,4,5,6,7,8,9,10-nonamethylanthracen-2-ol (CID 129267856) is 1,3,4,5,6,7,8,9,10-nonamethylanthracen-2-ol.
What is the SMILES notation for 1,3,4,5,6,7,8,9,10-nonamethylanthracen-2-ol?
The canonical SMILES for 1,3,4,5,6,7,8,9,10-nonamethylanthracen-2-ol is Cc1c(C)c(C)c2c(C)c3c(C)c(O)c(C)c(C)c3c(C)c2c1C.
What is the InChIKey of 1,3,4,5,6,7,8,9,10-nonamethylanthracen-2-ol?
The InChIKey is MWNFYHUAXCOCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O/c1-10-11(2)13(4)20-17(8)22-18(9)23(24)15(6)14(5)21(22)16(7)19(20)12(10)3/h24H,1-9H3.
What are the key properties of 1,3,4,5,6,7,8,9,10-nonamethylanthracen-2-ol?
1,3,4,5,6,7,8,9,10-nonamethylanthracen-2-ol has a molecular weight of 320.48 g/mol, XLogP of 6.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6,7,8,9,10-nonamethylanthracen-2-ol is sourced from PubChem (CID 129267856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).