anthracen-9-yl-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol

C24H24O — CID 601382

IUPACanthracen-9-yl-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol
SMILESCC1(C)C2CC=C(C(O)c3c4ccccc4cc4ccccc34)C1C2
InChIInChI=1S/C24H24O/c1-24(2)17-11-12-20(21(24)14-17)23(25)22-18-9-5-3-7-15(18)13-16-8-4-6-10-19(16)22/h3-10,12-13,17,21,23,25H,11,14H2,1-2H3
InChIKeyKYUCWHDCRBVCDT-UHFFFAOYSA-N
MW328.46 g/mol
LogP6.02
Rot. Bonds2

About anthracen-9-yl-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol

anthracen-9-yl-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol (PubChem CID 601382) has the molecular formula C24H24O and a molecular weight of 328.46 g/mol. Its IUPAC name is anthracen-9-yl-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol.

Molecular Properties

Compound Nameanthracen-9-yl-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol
PubChem CID601382
Molecular FormulaC24H24O
Molecular Weight328.46 g/mol
Exact Mass328.18
IUPAC Nameanthracen-9-yl-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol
SMILESCC1(C)C2CC=C(C(O)c3c4ccccc4cc4ccccc34)C1C2
InChIInChI=1S/C24H24O/c1-24(2)17-11-12-20(21(24)14-17)23(25)22-18-9-5-3-7-15(18)13-16-8-4-6-10-19(16)22/h3-10,12-13,17,21,23,25H,11,14H2,1-2H3
InChIKeyKYUCWHDCRBVCDT-UHFFFAOYSA-N
XLogP6.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of anthracen-9-yl-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol?
The IUPAC name of anthracen-9-yl-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol (CID 601382) is anthracen-9-yl-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol.
What is the SMILES notation for anthracen-9-yl-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol?
The canonical SMILES for anthracen-9-yl-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol is CC1(C)C2CC=C(C(O)c3c4ccccc4cc4ccccc34)C1C2.
What is the InChIKey of anthracen-9-yl-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol?
The InChIKey is KYUCWHDCRBVCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O/c1-24(2)17-11-12-20(21(24)14-17)23(25)22-18-9-5-3-7-15(18)13-16-8-4-6-10-19(16)22/h3-10,12-13,17,21,23,25H,11,14H2,1-2H3.
What are the key properties of anthracen-9-yl-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol?
anthracen-9-yl-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol has a molecular weight of 328.46 g/mol, XLogP of 6.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-yl-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol is sourced from PubChem (CID 601382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).