3-phenanthren-2-yloxypropyl acetate

C19H18O3 — CID 59456218

IUPAC3-phenanthren-2-yloxypropyl acetate
SMILESCC(=O)OCCCOc1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C19H18O3/c1-14(20)21-11-4-12-22-17-9-10-19-16(13-17)8-7-15-5-2-3-6-18(15)19/h2-3,5-10,13H,4,11-12H2,1H3
InChIKeyPOVKWDIZSIBMFH-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.32
Rot. Bonds5

About 3-phenanthren-2-yloxypropyl acetate

3-phenanthren-2-yloxypropyl acetate (PubChem CID 59456218) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-phenanthren-2-yloxypropyl acetate.

Molecular Properties

Compound Name3-phenanthren-2-yloxypropyl acetate
PubChem CID59456218
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name3-phenanthren-2-yloxypropyl acetate
SMILESCC(=O)OCCCOc1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C19H18O3/c1-14(20)21-11-4-12-22-17-9-10-19-16(13-17)8-7-15-5-2-3-6-18(15)19/h2-3,5-10,13H,4,11-12H2,1H3
InChIKeyPOVKWDIZSIBMFH-UHFFFAOYSA-N
XLogP4.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-phenanthren-2-yloxyethyl 2-methylpropanoate
CID 130451688
8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate
CID 67166599
3-naphthalen-2-yloxypropyl 3-iminobutanoate
CID 54485118
ethyl acetate;phenanthrene
CID 160726264
[7-(4-acetyloxybutyl)phenanthren-2-yl] 2-methylprop-2-enoate
CID 123250548
3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione
CID 10707168
6-naphthalen-2-yloxyhexyl prop-2-enoate
CID 22598602
2-methyl-5-naphthalen-2-yloxypentanamide
CID 142457986
11-naphthalen-2-yloxyundecyl prop-2-enoate
CID 164916140
N-(5-naphthalen-2-yloxypentyl)acetamide
CID 175828319
2-naphthalen-1-yloxyethyl acetate
CID 23049663
3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenoxy]propyl acetate
CID 20605378

Frequently Asked Questions

What is the IUPAC name of 3-phenanthren-2-yloxypropyl acetate?
The IUPAC name of 3-phenanthren-2-yloxypropyl acetate (CID 59456218) is 3-phenanthren-2-yloxypropyl acetate.
What is the SMILES notation for 3-phenanthren-2-yloxypropyl acetate?
The canonical SMILES for 3-phenanthren-2-yloxypropyl acetate is CC(=O)OCCCOc1ccc2c(ccc3ccccc32)c1.
What is the InChIKey of 3-phenanthren-2-yloxypropyl acetate?
The InChIKey is POVKWDIZSIBMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-14(20)21-11-4-12-22-17-9-10-19-16(13-17)8-7-15-5-2-3-6-18(15)19/h2-3,5-10,13H,4,11-12H2,1H3.
What are the key properties of 3-phenanthren-2-yloxypropyl acetate?
3-phenanthren-2-yloxypropyl acetate has a molecular weight of 294.35 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenanthren-2-yloxypropyl acetate is sourced from PubChem (CID 59456218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).