ethyl 2-(5-phenylcyclopenta[b]pyran-7-yl)acetate

C18H16O3 — CID 70608015

IUPACethyl 2-(5-phenylcyclopenta[b]pyran-7-yl)acetate
SMILESCCOC(=O)Cc1cc(-c2ccccc2)c2cccoc1-2
InChIInChI=1S/C18H16O3/c1-2-20-17(19)12-14-11-16(13-7-4-3-5-8-13)15-9-6-10-21-18(14)15/h3-11H,2,12H2,1H3
InChIKeyURCNLGGCVCNOOD-UHFFFAOYSA-N
MW280.32 g/mol
LogP4.16
Rot. Bonds4

About ethyl 2-(5-phenylcyclopenta[b]pyran-7-yl)acetate

ethyl 2-(5-phenylcyclopenta[b]pyran-7-yl)acetate (PubChem CID 70608015) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl 2-(5-phenylcyclopenta[b]pyran-7-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-phenylcyclopenta[b]pyran-7-yl)acetate
PubChem CID70608015
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Nameethyl 2-(5-phenylcyclopenta[b]pyran-7-yl)acetate
SMILESCCOC(=O)Cc1cc(-c2ccccc2)c2cccoc1-2
InChIInChI=1S/C18H16O3/c1-2-20-17(19)12-14-11-16(13-7-4-3-5-8-13)15-9-6-10-21-18(14)15/h3-11H,2,12H2,1H3
InChIKeyURCNLGGCVCNOOD-UHFFFAOYSA-N
XLogP4.16
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(5-phenylcyclopenta[b]pyran-7-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

Furaprofen
CID 37801
Baldrinal
CID 159846
Homobaldrinal
CID 49999
Viburtinal
CID 594452
Norviburtinal
CID 390664
2-Phenylcyclopenta[b]chromene-1-carbaldehyde
CID 3390643
5-(Furan-2-yl)-3-(3-methoxyphenyl)cyclohex-2-en-1-one
CID 24747168
2-Phenylindeno[2,1-b]pyran
CID 139154
11-Carbomethoxylinderazulene
CID 656394
3-(2-Furyl)-3-phenylpropanoic acid
CID 2771878
3-Benzofurancarboxylic acid, methyl ester
CID 12777099
3-{2-Phenylcyclopenta[b]chromen-1-yl}prop-2-enal
CID 2468362

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-phenylcyclopenta[b]pyran-7-yl)acetate?
The IUPAC name of ethyl 2-(5-phenylcyclopenta[b]pyran-7-yl)acetate (CID 70608015) is ethyl 2-(5-phenylcyclopenta[b]pyran-7-yl)acetate.
What is the SMILES notation for ethyl 2-(5-phenylcyclopenta[b]pyran-7-yl)acetate?
The canonical SMILES for ethyl 2-(5-phenylcyclopenta[b]pyran-7-yl)acetate is CCOC(=O)Cc1cc(-c2ccccc2)c2cccoc1-2.
What is the InChIKey of ethyl 2-(5-phenylcyclopenta[b]pyran-7-yl)acetate?
The InChIKey is URCNLGGCVCNOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-2-20-17(19)12-14-11-16(13-7-4-3-5-8-13)15-9-6-10-21-18(14)15/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 2-(5-phenylcyclopenta[b]pyran-7-yl)acetate?
ethyl 2-(5-phenylcyclopenta[b]pyran-7-yl)acetate has a molecular weight of 280.32 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-phenylcyclopenta[b]pyran-7-yl)acetate is sourced from PubChem (CID 70608015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).