1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-methoxyphenyl)cyclopropane-1-carboxylate

C21H22O3 — CID 86890661

IUPAC1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-methoxyphenyl)cyclopropane-1-carboxylate
SMILESCOc1ccccc1C1CC1C(=O)OC1CCc2ccccc2C1
InChIInChI=1S/C21H22O3/c1-23-20-9-5-4-8-17(20)18-13-19(18)21(22)24-16-11-10-14-6-2-3-7-15(14)12-16/h2-9,16,18-19H,10-13H2,1H3
InChIKeyMNOJDJZFVPSWPY-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.90
Rot. Bonds4

About 1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-methoxyphenyl)cyclopropane-1-carboxylate

1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-methoxyphenyl)cyclopropane-1-carboxylate (PubChem CID 86890661) has the molecular formula C21H22O3 and a molecular weight of 322.40 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-methoxyphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-methoxyphenyl)cyclopropane-1-carboxylate
PubChem CID86890661
Molecular FormulaC21H22O3
Molecular Weight322.40 g/mol
Exact Mass322.16
IUPAC Name1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-methoxyphenyl)cyclopropane-1-carboxylate
SMILESCOc1ccccc1C1CC1C(=O)OC1CCc2ccccc2C1
InChIInChI=1S/C21H22O3/c1-23-20-9-5-4-8-17(20)18-13-19(18)21(22)24-16-11-10-14-6-2-3-7-15(14)12-16/h2-9,16,18-19H,10-13H2,1H3
InChIKeyMNOJDJZFVPSWPY-UHFFFAOYSA-N
XLogP3.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-methoxyphenyl)cyclopropane-1-carboxylate?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-methoxyphenyl)cyclopropane-1-carboxylate (CID 86890661) is 1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-methoxyphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-methoxyphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-methoxyphenyl)cyclopropane-1-carboxylate is COc1ccccc1C1CC1C(=O)OC1CCc2ccccc2C1.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-methoxyphenyl)cyclopropane-1-carboxylate?
The InChIKey is MNOJDJZFVPSWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O3/c1-23-20-9-5-4-8-17(20)18-13-19(18)21(22)24-16-11-10-14-6-2-3-7-15(14)12-16/h2-9,16,18-19H,10-13H2,1H3.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-methoxyphenyl)cyclopropane-1-carboxylate?
1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-methoxyphenyl)cyclopropane-1-carboxylate has a molecular weight of 322.40 g/mol, XLogP of 3.90, 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-(2-methoxyphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 86890661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).