1-(10-propylanthracen-9-yl)cyclohexan-1-ol

C23H26O — CID 129179763

IUPAC1-(10-propylanthracen-9-yl)cyclohexan-1-ol
SMILESCCCc1c2ccccc2c(C2(O)CCCCC2)c2ccccc12
InChIInChI=1S/C23H26O/c1-2-10-17-18-11-4-6-13-20(18)22(21-14-7-5-12-19(17)21)23(24)15-8-3-9-16-23/h4-7,11-14,24H,2-3,8-10,15-16H2,1H3
InChIKeyXALCJYLVBFQASB-UHFFFAOYSA-N
MW318.46 g/mol
LogP6.10
Rot. Bonds3

About 1-(10-propylanthracen-9-yl)cyclohexan-1-ol

1-(10-propylanthracen-9-yl)cyclohexan-1-ol (PubChem CID 129179763) has the molecular formula C23H26O and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-(10-propylanthracen-9-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(10-propylanthracen-9-yl)cyclohexan-1-ol
PubChem CID129179763
Molecular FormulaC23H26O
Molecular Weight318.46 g/mol
Exact Mass318.20
IUPAC Name1-(10-propylanthracen-9-yl)cyclohexan-1-ol
SMILESCCCc1c2ccccc2c(C2(O)CCCCC2)c2ccccc12
InChIInChI=1S/C23H26O/c1-2-10-17-18-11-4-6-13-20(18)22(21-14-7-5-12-19(17)21)23(24)15-8-3-9-16-23/h4-7,11-14,24H,2-3,8-10,15-16H2,1H3
InChIKeyXALCJYLVBFQASB-UHFFFAOYSA-N
XLogP6.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 56.10
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-(10-propylanthracen-9-yl)cyclohexan-1-ol?
The IUPAC name of 1-(10-propylanthracen-9-yl)cyclohexan-1-ol (CID 129179763) is 1-(10-propylanthracen-9-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(10-propylanthracen-9-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(10-propylanthracen-9-yl)cyclohexan-1-ol is CCCc1c2ccccc2c(C2(O)CCCCC2)c2ccccc12.
What is the InChIKey of 1-(10-propylanthracen-9-yl)cyclohexan-1-ol?
The InChIKey is XALCJYLVBFQASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O/c1-2-10-17-18-11-4-6-13-20(18)22(21-14-7-5-12-19(17)21)23(24)15-8-3-9-16-23/h4-7,11-14,24H,2-3,8-10,15-16H2,1H3.
What are the key properties of 1-(10-propylanthracen-9-yl)cyclohexan-1-ol?
1-(10-propylanthracen-9-yl)cyclohexan-1-ol has a molecular weight of 318.46 g/mol, XLogP of 6.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-propylanthracen-9-yl)cyclohexan-1-ol is sourced from PubChem (CID 129179763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).