ethyl 2-(1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetate

C19H22O3 — CID 141011131

IUPACethyl 2-(1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetate
SMILESCCOC(=O)CC1CCC(OC)c2ccc3ccccc3c21
InChIInChI=1S/C19H22O3/c1-3-22-18(20)12-14-9-11-17(21-2)16-10-8-13-6-4-5-7-15(13)19(14)16/h4-8,10,14,17H,3,9,11-12H2,1-2H3
InChIKeyMCFCKFOHJKGZFU-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.36
Rot. Bonds4

About ethyl 2-(1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetate

ethyl 2-(1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetate (PubChem CID 141011131) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is ethyl 2-(1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetate
PubChem CID141011131
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Nameethyl 2-(1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetate
SMILESCCOC(=O)CC1CCC(OC)c2ccc3ccccc3c21
InChIInChI=1S/C19H22O3/c1-3-22-18(20)12-14-9-11-17(21-2)16-10-8-13-6-4-5-7-15(13)19(14)16/h4-8,10,14,17H,3,9,11-12H2,1-2H3
InChIKeyMCFCKFOHJKGZFU-UHFFFAOYSA-N
XLogP4.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(1-methoxy-1,2,3,4-tetrahydrophenanthren-4-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

(1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)methanamine
CID 141011121
ethyl 2-[(1R,12S,23S,27S)-24,26-dioxo-25-azaheptacyclo[10.10.5.02,11.03,8.013,22.014,19.023,27]heptacosa-2(11),3,5,7,9,13(22),14,16,18,20-decaen-25-yl]acetate
CID 98570638
ethyl 2-(5-fluoro-3,4-dihydro-2H-chromen-4-yl)acetate
CID 165145944
ethyl 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetate
CID 23549532
ethyl 2-(2,3-dihydro-1-benzothiophen-3-yl)acetate
CID 19081469
ethyl 2-(1,3,4,5-tetrahydro-2-benzoxepin-5-yl)acetate
CID 165145663
ethyl acetate;phenanthrene
CID 160726264
ethyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetate
CID 58565948
ethyl 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetate
CID 86641632
ethyl 2-[(1R,3S)-3-amino-1,2,3,4-tetrahydronaphthalen-1-yl]acetate
CID 129387633
ethyl 2-(4-chloro-5-cyclopentyloxy-6-naphthalen-2-yl-2,3-dihydro-1H-inden-1-yl)acetate
CID 68859367
(1S,4R)-1,2,3,4-tetrahydrophenanthrene-1,4-diamine
CID 135045429

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetate?
The IUPAC name of ethyl 2-(1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetate (CID 141011131) is ethyl 2-(1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetate.
What is the SMILES notation for ethyl 2-(1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetate?
The canonical SMILES for ethyl 2-(1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetate is CCOC(=O)CC1CCC(OC)c2ccc3ccccc3c21.
What is the InChIKey of ethyl 2-(1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetate?
The InChIKey is MCFCKFOHJKGZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-3-22-18(20)12-14-9-11-17(21-2)16-10-8-13-6-4-5-7-15(13)19(14)16/h4-8,10,14,17H,3,9,11-12H2,1-2H3.
What are the key properties of ethyl 2-(1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetate?
ethyl 2-(1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetate has a molecular weight of 298.38 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetate is sourced from PubChem (CID 141011131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).