3-anthracen-9-yloxypropane-1,2-diol

C17H16O3 — CID 139994732

IUPAC3-anthracen-9-yloxypropane-1,2-diol
SMILESOCC(O)COc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H16O3/c18-10-14(19)11-20-17-15-7-3-1-5-12(15)9-13-6-2-4-8-16(13)17/h1-9,14,18-19H,10-11H2
InChIKeyHVYIMCVFCCJXNR-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.72
Rot. Bonds4

About 3-anthracen-9-yloxypropane-1,2-diol

3-anthracen-9-yloxypropane-1,2-diol (PubChem CID 139994732) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-anthracen-9-yloxypropane-1,2-diol.

Molecular Properties

Compound Name3-anthracen-9-yloxypropane-1,2-diol
PubChem CID139994732
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name3-anthracen-9-yloxypropane-1,2-diol
SMILESOCC(O)COc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H16O3/c18-10-14(19)11-20-17-15-7-3-1-5-12(15)9-13-6-2-4-8-16(13)17/h1-9,14,18-19H,10-11H2
InChIKeyHVYIMCVFCCJXNR-UHFFFAOYSA-N
XLogP2.72
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-anthracen-9-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 11843223
anthracen-9-yloxymethanol
CID 177108126
3-phenoxypropane-1,2-diol
CID 158587241
1,3-di(anthracen-9-yl)propan-2-ol
CID 14980286
3-phenoxypropane-1,2-diol
CID 10857
3-(1H-indol-2-yloxy)propane-1,2-diol
CID 23048023
actinium;3-phenoxypropane-1,2-diol
CID 22981458
3-[2-[2-[2-(2,3-dihydroxypropoxy)phenoxy]ethoxy]phenoxy]propane-1,2-diol
CID 24843324
3-[2-(hydroxymethyl)-6-methylphenoxy]propane-1,2-diol
CID 112612371
but-3-en-2-one;3-naphthalen-1-yloxypropane-1,2-diol
CID 21238595
3-[4-[4-(2,3-dihydroxypropoxy)-N-naphthalen-2-ylanilino]phenoxy]propane-1,2-diol
CID 59739429
boric acid;9-ethoxyanthracene
CID 175362289

Frequently Asked Questions

What is the IUPAC name of 3-anthracen-9-yloxypropane-1,2-diol?
The IUPAC name of 3-anthracen-9-yloxypropane-1,2-diol (CID 139994732) is 3-anthracen-9-yloxypropane-1,2-diol.
What is the SMILES notation for 3-anthracen-9-yloxypropane-1,2-diol?
The canonical SMILES for 3-anthracen-9-yloxypropane-1,2-diol is OCC(O)COc1c2ccccc2cc2ccccc12.
What is the InChIKey of 3-anthracen-9-yloxypropane-1,2-diol?
The InChIKey is HVYIMCVFCCJXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c18-10-14(19)11-20-17-15-7-3-1-5-12(15)9-13-6-2-4-8-16(13)17/h1-9,14,18-19H,10-11H2.
What are the key properties of 3-anthracen-9-yloxypropane-1,2-diol?
3-anthracen-9-yloxypropane-1,2-diol has a molecular weight of 268.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anthracen-9-yloxypropane-1,2-diol is sourced from PubChem (CID 139994732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).