methyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate

C19H20O3 — CID 151712376

IUPACmethyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2c(c(OCc3ccccc3)c1)CCCC2
InChIInChI=1S/C19H20O3/c1-21-19(20)16-11-15-9-5-6-10-17(15)18(12-16)22-13-14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10,13H2,1H3
InChIKeyRGVFHYRURMBGOC-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.93
Rot. Bonds4

About methyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate

methyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate (PubChem CID 151712376) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
PubChem CID151712376
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Namemethyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2c(c(OCc3ccccc3)c1)CCCC2
InChIInChI=1S/C19H20O3/c1-21-19(20)16-11-15-9-5-6-10-17(15)18(12-16)22-13-14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10,13H2,1H3
InChIKeyRGVFHYRURMBGOC-UHFFFAOYSA-N
XLogP3.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 13318628
methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
CID 11414943
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
methyl 3,5-bis[(3,4-dimethyl-5-phenylmethoxyphenyl)methoxy]-4-[(3,4,5-trimethylphenyl)methoxy]benzoate
CID 90391979
methyl 3-bromo-4-phenylmethoxybenzoate
CID 23111814
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate
CID 164892253
(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-indene-5-carboxylate
CID 9010500
methyl 3-acetyl-4-phenylmethoxybenzoate
CID 22101033
methyl 5-iodo-6-methyl-8-phenylmethoxyquinoline-3-carboxylate
CID 59898852
methyl 8-bromo-4-methyl-7-phenylmethoxynaphthalene-2-carboxylate
CID 4059731
methyl 6-phenylmethoxynaphthalene-2-carboxylate;(4'-methyl-3,3'-spirobi[1,2-dihydroindene]-4-yl) 6-phenylmethoxynaphthalene-2-carboxylate
CID 158517346

Frequently Asked Questions

What is the IUPAC name of methyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of methyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate (CID 151712376) is methyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for methyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate is COC(=O)c1cc2c(c(OCc3ccccc3)c1)CCCC2.
What is the InChIKey of methyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The InChIKey is RGVFHYRURMBGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-21-19(20)16-11-15-9-5-6-10-17(15)18(12-16)22-13-14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10,13H2,1H3.
What are the key properties of methyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
methyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 151712376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).