3-anthracen-1-ylpropane-1,2-diol

C17H16O2 — CID 175541377

IUPAC3-anthracen-1-ylpropane-1,2-diol
SMILESOCC(O)Cc1cccc2cc3ccccc3cc12
InChIInChI=1S/C17H16O2/c18-11-16(19)9-15-7-3-6-14-8-12-4-1-2-5-13(12)10-17(14)15/h1-8,10,16,18-19H,9,11H2
InChIKeyOSDLVQVFICUQPY-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.89
Rot. Bonds3

About 3-anthracen-1-ylpropane-1,2-diol

3-anthracen-1-ylpropane-1,2-diol (PubChem CID 175541377) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-anthracen-1-ylpropane-1,2-diol.

Molecular Properties

Compound Name3-anthracen-1-ylpropane-1,2-diol
PubChem CID175541377
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name3-anthracen-1-ylpropane-1,2-diol
SMILESOCC(O)Cc1cccc2cc3ccccc3cc12
InChIInChI=1S/C17H16O2/c18-11-16(19)9-15-7-3-6-14-8-12-4-1-2-5-13(12)10-17(14)15/h1-8,10,16,18-19H,9,11H2
InChIKeyOSDLVQVFICUQPY-UHFFFAOYSA-N
XLogP2.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-difluoroethyl)anthracene
CID 58435964
anthracen-1-ylmethanolate
CID 57358748
CID 173167056
CID 173167056
1-(chloromethyl)anthracene
CID 18004230
1-(dimethylamino)-3-naphthalen-1-ylpropan-2-ol
CID 79088048
4-tetracen-1-ylbutan-1-ol
CID 87369368
benzo[a]anthracen-8-ylmethanol
CID 25090609
1-(7-methoxynaphthalen-1-yl)-3-phenylpropan-2-ol
CID 115506158
3-(2-phenylphenyl)propane-1,2-diol
CID 154118569
6-methyl-1-naphthalen-1-ylheptan-2-ol
CID 105122822
1-ethylanthracene;formic acid
CID 175485335
2-tetracen-1-ylacetamide
CID 139927285

Frequently Asked Questions

What is the IUPAC name of 3-anthracen-1-ylpropane-1,2-diol?
The IUPAC name of 3-anthracen-1-ylpropane-1,2-diol (CID 175541377) is 3-anthracen-1-ylpropane-1,2-diol.
What is the SMILES notation for 3-anthracen-1-ylpropane-1,2-diol?
The canonical SMILES for 3-anthracen-1-ylpropane-1,2-diol is OCC(O)Cc1cccc2cc3ccccc3cc12.
What is the InChIKey of 3-anthracen-1-ylpropane-1,2-diol?
The InChIKey is OSDLVQVFICUQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c18-11-16(19)9-15-7-3-6-14-8-12-4-1-2-5-13(12)10-17(14)15/h1-8,10,16,18-19H,9,11H2.
What are the key properties of 3-anthracen-1-ylpropane-1,2-diol?
3-anthracen-1-ylpropane-1,2-diol has a molecular weight of 252.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anthracen-1-ylpropane-1,2-diol is sourced from PubChem (CID 175541377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).