2-phenanthren-2-yloxyethyl 2-methylpropanoate

C20H20O3 — CID 130451688

IUPAC2-phenanthren-2-yloxyethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCOc1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C20H20O3/c1-14(2)20(21)23-12-11-22-17-9-10-19-16(13-17)8-7-15-5-3-4-6-18(15)19/h3-10,13-14H,11-12H2,1-2H3
InChIKeyGQWJVVSDLDGRDX-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.57
Rot. Bonds5

About 2-phenanthren-2-yloxyethyl 2-methylpropanoate

2-phenanthren-2-yloxyethyl 2-methylpropanoate (PubChem CID 130451688) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-phenanthren-2-yloxyethyl 2-methylpropanoate.

Molecular Properties

Compound Name2-phenanthren-2-yloxyethyl 2-methylpropanoate
PubChem CID130451688
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name2-phenanthren-2-yloxyethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCOc1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C20H20O3/c1-14(2)20(21)23-12-11-22-17-9-10-19-16(13-17)8-7-15-5-3-4-6-18(15)19/h3-10,13-14H,11-12H2,1-2H3
InChIKeyGQWJVVSDLDGRDX-UHFFFAOYSA-N
XLogP4.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.57
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

3-phenanthren-2-yloxypropyl acetate
CID 59456218
2-methyl-5-naphthalen-2-yloxypentanamide
CID 142457986
2-(4-fluorophenoxy)ethyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
CID 7572927
3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione
CID 10707168
2-[4-[[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]-diphenylmethyl]phenoxy]ethyl 2-methylpropanoate
CID 134385835
methyl 2-amino-4-naphthalen-2-yloxybutanoate
CID 63041604
3-amino-N-(2-naphthalen-2-yloxyethyl)butanamide
CID 119694969
2-(2-naphthalen-2-yloxyethoxy)ethyl 4,4-dimethylpentanoate
CID 148869293
2-phenoxyethyl 2-aminopropanoate
CID 61301873
3-methylbutyl 2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)acetate
CID 154418602
ethyl 2-(2-naphthalen-2-yloxyethoxycarbonylamino)acetate
CID 4158444
1-[3,5-difluoro-4-(2-naphthalen-2-yloxyethoxy)phenyl]ethanone
CID 19004540

Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-2-yloxyethyl 2-methylpropanoate?
The IUPAC name of 2-phenanthren-2-yloxyethyl 2-methylpropanoate (CID 130451688) is 2-phenanthren-2-yloxyethyl 2-methylpropanoate.
What is the SMILES notation for 2-phenanthren-2-yloxyethyl 2-methylpropanoate?
The canonical SMILES for 2-phenanthren-2-yloxyethyl 2-methylpropanoate is CC(C)C(=O)OCCOc1ccc2c(ccc3ccccc32)c1.
What is the InChIKey of 2-phenanthren-2-yloxyethyl 2-methylpropanoate?
The InChIKey is GQWJVVSDLDGRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-14(2)20(21)23-12-11-22-17-9-10-19-16(13-17)8-7-15-5-3-4-6-18(15)19/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of 2-phenanthren-2-yloxyethyl 2-methylpropanoate?
2-phenanthren-2-yloxyethyl 2-methylpropanoate has a molecular weight of 308.38 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthren-2-yloxyethyl 2-methylpropanoate is sourced from PubChem (CID 130451688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).