methyl (2S,3S)-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate

C18H18O2 — CID 101261612

IUPACmethyl (2S,3S)-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)[C@H]1Cc2ccccc2C[C@@H]1c1ccccc1
InChIInChI=1S/C18H18O2/c1-20-18(19)17-12-15-10-6-5-9-14(15)11-16(17)13-7-3-2-4-8-13/h2-10,16-17H,11-12H2,1H3/t16-,17+/m1/s1
InChIKeyFKVCYFQRRINCEG-SJORKVTESA-N
MW266.34 g/mol
LogP3.36
Rot. Bonds2

About methyl (2S,3S)-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate

methyl (2S,3S)-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate (PubChem CID 101261612) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl (2S,3S)-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3S)-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
PubChem CID101261612
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Namemethyl (2S,3S)-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)[C@H]1Cc2ccccc2C[C@@H]1c1ccccc1
InChIInChI=1S/C18H18O2/c1-20-18(19)17-12-15-10-6-5-9-14(15)11-16(17)13-7-3-2-4-8-13/h2-10,16-17H,11-12H2,1H3/t16-,17+/m1/s1
InChIKeyFKVCYFQRRINCEG-SJORKVTESA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 642984
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CID 101211176
cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate
CID 99991979
methyl (4E)-2-phenyl-4-[phenyl(trimethylsilyl)methylidene]cyclopentane-1-carboxylate
CID 21160231
cis-methyl (1R,2S)-5,5-difluoro-2-phenylcyclohexane-1-carboxylate
CID 156900270
methyl 1-oxido-4-phenylpiperidine-3-carboxylate
CID 87687004
methyl (4S)-1-methyl-3-phenylpiperidine-4-carboxylate
CID 163219557
methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 124511173
2,3-dihydro-1H-inden-2-yl (1R)-2-phenylcyclobutane-1-carboxylate
CID 145368316
dimethyl (5S,6S)-2-benzyl-4,5,6,7-tetrahydroisoindole-5,6-dicarboxylate
CID 11782382
dimethyl (1S,2R,3R)-1-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate
CID 13171844
methyl (1S,6S)-2-hydroxy-4-oxo-6-phenylcyclohex-2-ene-1-carboxylate
CID 6943850

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of methyl (2S,3S)-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate (CID 101261612) is methyl (2S,3S)-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl (2S,3S)-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for methyl (2S,3S)-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate is COC(=O)[C@H]1Cc2ccccc2C[C@@H]1c1ccccc1.
What is the InChIKey of methyl (2S,3S)-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The InChIKey is FKVCYFQRRINCEG-SJORKVTESA-N. The full InChI is InChI=1S/C18H18O2/c1-20-18(19)17-12-15-10-6-5-9-14(15)11-16(17)13-7-3-2-4-8-13/h2-10,16-17H,11-12H2,1H3/t16-,17+/m1/s1.
What are the key properties of methyl (2S,3S)-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
methyl (2S,3S)-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 101261612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).