ethyl (1R,2R)-7-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate

C20H22O3 — CID 10542989

IUPACethyl (1R,2R)-7-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCc2ccc(OC)cc2[C@H]1c1ccccc1
InChIInChI=1S/C20H22O3/c1-3-23-20(21)17-12-10-14-9-11-16(22-2)13-18(14)19(17)15-7-5-4-6-8-15/h4-9,11,13,17,19H,3,10,12H2,1-2H3/t17-,19+/m1/s1
InChIKeyNDLYEEDUAINXNK-MJGOQNOKSA-N
MW310.39 g/mol
LogP3.95
Rot. Bonds4

About ethyl (1R,2R)-7-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate

ethyl (1R,2R)-7-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate (PubChem CID 10542989) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is ethyl (1R,2R)-7-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl (1R,2R)-7-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
PubChem CID10542989
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Nameethyl (1R,2R)-7-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCc2ccc(OC)cc2[C@H]1c1ccccc1
InChIInChI=1S/C20H22O3/c1-3-23-20(21)17-12-10-14-9-11-16(22-2)13-18(14)19(17)15-7-5-4-6-8-15/h4-9,11,13,17,19H,3,10,12H2,1-2H3/t17-,19+/m1/s1
InChIKeyNDLYEEDUAINXNK-MJGOQNOKSA-N
XLogP3.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl (1R,2R)-7-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate with MolForge

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Related Compounds

ethyl 7-methoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110289304
ethyl N-[(1S,2S)-6-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]carbamate
CID 10567004
ethyl 6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxylate
CID 83985310
ethyl (1R,2R)-1-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 10987788
ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 129389823
ethyl (3Z)-3-(1-hydroxyethylidene)-5-methoxy-1-phenyl-1,2-dihydroindene-2-carboxylate
CID 143123781
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
ethyl 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine-3-carboxylate;hydrochloride
CID 159114747
ethyl 2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetate
CID 79248246
(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118023139
2-[ethyl-(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetic acid
CID 79367822
ethyl 2-(1-cyano-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 139709193

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,2R)-7-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of ethyl (1R,2R)-7-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate (CID 10542989) is ethyl (1R,2R)-7-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for ethyl (1R,2R)-7-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for ethyl (1R,2R)-7-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate is CCOC(=O)[C@@H]1CCc2ccc(OC)cc2[C@H]1c1ccccc1.
What is the InChIKey of ethyl (1R,2R)-7-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The InChIKey is NDLYEEDUAINXNK-MJGOQNOKSA-N. The full InChI is InChI=1S/C20H22O3/c1-3-23-20(21)17-12-10-14-9-11-16(22-2)13-18(14)19(17)15-7-5-4-6-8-15/h4-9,11,13,17,19H,3,10,12H2,1-2H3/t17-,19+/m1/s1.
What are the key properties of ethyl (1R,2R)-7-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
ethyl (1R,2R)-7-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate has a molecular weight of 310.39 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,2R)-7-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 10542989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).