methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate

C19H20O3 — CID 13318628

IUPACmethyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2c(cc1OCc1ccccc1)CCCC2
InChIInChI=1S/C19H20O3/c1-21-19(20)17-11-15-9-5-6-10-16(15)12-18(17)22-13-14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10,13H2,1H3
InChIKeyDKRWXHWGHGGOBE-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.93
Rot. Bonds4

About methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate

methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate (PubChem CID 13318628) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
PubChem CID13318628
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Namemethyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2c(cc1OCc1ccccc1)CCCC2
InChIInChI=1S/C19H20O3/c1-21-19(20)17-11-15-9-5-6-10-16(15)12-18(17)22-13-14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10,13H2,1H3
InChIKeyDKRWXHWGHGGOBE-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 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 151712376
methyl 3-(2-methoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate
CID 54181784
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate
CID 10936482
methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate
CID 166501120
6-phenylmethoxy-2,3-dihydro-1H-inden-5-ol
CID 13059019
methyl 2-phenylmethoxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 10596554
methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate
CID 54308363
4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
CID 156760748
methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate
CID 141491385
methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
CID 11414943
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate (CID 13318628) is methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate is COC(=O)c1cc2c(cc1OCc1ccccc1)CCCC2.
What is the InChIKey of methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The InChIKey is DKRWXHWGHGGOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-21-19(20)17-11-15-9-5-6-10-16(15)12-18(17)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 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
methyl 3-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 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 13318628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).