1,2,3,4-tetrahydronaphthalen-2-yl 2-(methoxymethyl)benzoate

C19H20O3 — CID 86890632

IUPAC1,2,3,4-tetrahydronaphthalen-2-yl 2-(methoxymethyl)benzoate
SMILESCOCc1ccccc1C(=O)OC1CCc2ccccc2C1
InChIInChI=1S/C19H20O3/c1-21-13-16-8-4-5-9-18(16)19(20)22-17-11-10-14-6-2-3-7-15(14)12-17/h2-9,17H,10-13H2,1H3
InChIKeyBNTJPGSMSMOOTG-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.55
Rot. Bonds4

About 1,2,3,4-tetrahydronaphthalen-2-yl 2-(methoxymethyl)benzoate

1,2,3,4-tetrahydronaphthalen-2-yl 2-(methoxymethyl)benzoate (PubChem CID 86890632) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-2-yl 2-(methoxymethyl)benzoate.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-2-yl 2-(methoxymethyl)benzoate
PubChem CID86890632
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name1,2,3,4-tetrahydronaphthalen-2-yl 2-(methoxymethyl)benzoate
SMILESCOCc1ccccc1C(=O)OC1CCc2ccccc2C1
InChIInChI=1S/C19H20O3/c1-21-13-16-8-4-5-9-18(16)19(20)22-17-11-10-14-6-2-3-7-15(14)12-17/h2-9,17H,10-13H2,1H3
InChIKeyBNTJPGSMSMOOTG-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-oxocyclohexyl) 2-ethylbenzoate
CID 174637503
[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenyldiazenylbenzoate
CID 92536781
propyl 2-(methoxymethyl)benzoate
CID 78862382
1,2,3,4-tetrahydronaphthalen-2-yl 1-tert-butylpyrazole-4-carboxylate
CID 86890637
1,2,3,4-tetrahydronaphthalen-2-yl 1-propanoyl-2,3-dihydroindole-5-carboxylate
CID 86890633
2-(methoxymethyl)-N-methylbenzamide
CID 60753373
1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-methoxyphenyl)cyclopropane-1-carboxylate
CID 86890661
cis-(1S,3R)-3-[[2-(methoxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676087
methyl 2-(oxan-4-yloxymethyl)benzoate
CID 81434511
N-cyclopropyl-N-(2-hydroxyethyl)-2-(methoxymethyl)benzamide
CID 43576629
but-2-enyl 2-(methoxymethyl)benzoate
CID 76861630
methoxymethylbenzene;2-(methoxymethyl)benzoic acid
CID 175486457

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-yl 2-(methoxymethyl)benzoate?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-yl 2-(methoxymethyl)benzoate (CID 86890632) is 1,2,3,4-tetrahydronaphthalen-2-yl 2-(methoxymethyl)benzoate.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-2-yl 2-(methoxymethyl)benzoate?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-2-yl 2-(methoxymethyl)benzoate is COCc1ccccc1C(=O)OC1CCc2ccccc2C1.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-2-yl 2-(methoxymethyl)benzoate?
The InChIKey is BNTJPGSMSMOOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-21-13-16-8-4-5-9-18(16)19(20)22-17-11-10-14-6-2-3-7-15(14)12-17/h2-9,17H,10-13H2,1H3.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-2-yl 2-(methoxymethyl)benzoate?
1,2,3,4-tetrahydronaphthalen-2-yl 2-(methoxymethyl)benzoate has a molecular weight of 296.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-2-yl 2-(methoxymethyl)benzoate is sourced from PubChem (CID 86890632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).