[7-(1-hydroxyprop-2-enoxy)phenanthren-2-yl] acetate

C19H16O4 — CID 123606446

IUPAC[7-(1-hydroxyprop-2-enoxy)phenanthren-2-yl] acetate
SMILESC=CC(O)Oc1ccc2c(ccc3cc(OC(C)=O)ccc32)c1
InChIInChI=1S/C19H16O4/c1-3-19(21)23-16-7-9-18-14(11-16)5-4-13-10-15(22-12(2)20)6-8-17(13)18/h3-11,19,21H,1H2,2H3
InChIKeyYYBZQHYBXJQQKW-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.80
Rot. Bonds4

About [7-(1-hydroxyprop-2-enoxy)phenanthren-2-yl] acetate

[7-(1-hydroxyprop-2-enoxy)phenanthren-2-yl] acetate (PubChem CID 123606446) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is [7-(1-hydroxyprop-2-enoxy)phenanthren-2-yl] acetate.

Molecular Properties

Compound Name[7-(1-hydroxyprop-2-enoxy)phenanthren-2-yl] acetate
PubChem CID123606446
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name[7-(1-hydroxyprop-2-enoxy)phenanthren-2-yl] acetate
SMILESC=CC(O)Oc1ccc2c(ccc3cc(OC(C)=O)ccc32)c1
InChIInChI=1S/C19H16O4/c1-3-19(21)23-16-7-9-18-14(11-16)5-4-13-10-15(22-12(2)20)6-8-17(13)18/h3-11,19,21H,1H2,2H3
InChIKeyYYBZQHYBXJQQKW-UHFFFAOYSA-N
XLogP3.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze [7-(1-hydroxyprop-2-enoxy)phenanthren-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-acetyloxy-2-hydroxynaphthalene-1-carboxylic acid
CID 70465846
(6-acetyloxy-5-methoxynaphthalen-2-yl) acetate
CID 19871375
[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl] 2-methylpropanoate
CID 126555024
[7-[4-(1-hydroxyprop-2-enoxy)butyl]phenanthren-2-yl] prop-2-enoate
CID 126515036
(5-propan-2-ylnaphthalen-2-yl) acetate
CID 23110894
(4-ethenylphenyl) acetate;oxophosphane
CID 175041738
(4-ethenyl-3-hydroxyphenyl) acetate
CID 130034523
(6-hydroxyanthracen-2-yl) acetate
CID 58800514
(3-bromo-4-ethenylphenyl) acetate
CID 151856352
[3-(1-hydroxyprop-2-enoxy)-5-prop-2-enoyloxyphenyl] (E)-3-[3,5-di(prop-2-enoyloxy)phenyl]but-2-enoate
CID 130281799
triphenylen-2-yl acetate;hydrochloride
CID 142787711
(2-methylquinolin-7-yl) acetate
CID 119085937

Frequently Asked Questions

What is the IUPAC name of [7-(1-hydroxyprop-2-enoxy)phenanthren-2-yl] acetate?
The IUPAC name of [7-(1-hydroxyprop-2-enoxy)phenanthren-2-yl] acetate (CID 123606446) is [7-(1-hydroxyprop-2-enoxy)phenanthren-2-yl] acetate.
What is the SMILES notation for [7-(1-hydroxyprop-2-enoxy)phenanthren-2-yl] acetate?
The canonical SMILES for [7-(1-hydroxyprop-2-enoxy)phenanthren-2-yl] acetate is C=CC(O)Oc1ccc2c(ccc3cc(OC(C)=O)ccc32)c1.
What is the InChIKey of [7-(1-hydroxyprop-2-enoxy)phenanthren-2-yl] acetate?
The InChIKey is YYBZQHYBXJQQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-3-19(21)23-16-7-9-18-14(11-16)5-4-13-10-15(22-12(2)20)6-8-17(13)18/h3-11,19,21H,1H2,2H3.
What are the key properties of [7-(1-hydroxyprop-2-enoxy)phenanthren-2-yl] acetate?
[7-(1-hydroxyprop-2-enoxy)phenanthren-2-yl] acetate has a molecular weight of 308.33 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(1-hydroxyprop-2-enoxy)phenanthren-2-yl] acetate is sourced from PubChem (CID 123606446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).