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

C18H18O2 — CID 14816630

IUPACmethyl 4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzoate
SMILESCOC(=O)c1ccc(C2CCCc3ccccc32)cc1
InChIInChI=1S/C18H18O2/c1-20-18(19)15-11-9-14(10-12-15)17-8-4-6-13-5-2-3-7-16(13)17/h2-3,5,7,9-12,17H,4,6,8H2,1H3
InChIKeyRURNNYDZGFGQJO-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.94
Rot. Bonds2

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

methyl 4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzoate (PubChem CID 14816630) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzoate
PubChem CID14816630
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Namemethyl 4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzoate
SMILESCOC(=O)c1ccc(C2CCCc3ccccc32)cc1
InChIInChI=1S/C18H18O2/c1-20-18(19)15-11-9-14(10-12-15)17-8-4-6-13-5-2-3-7-16(13)17/h2-3,5,7,9-12,17H,4,6,8H2,1H3
InChIKeyRURNNYDZGFGQJO-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzoate?
The IUPAC name of methyl 4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzoate (CID 14816630) is methyl 4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzoate.
What is the SMILES notation for methyl 4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzoate?
The canonical SMILES for methyl 4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzoate is COC(=O)c1ccc(C2CCCc3ccccc32)cc1.
What is the InChIKey of methyl 4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzoate?
The InChIKey is RURNNYDZGFGQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-20-18(19)15-11-9-14(10-12-15)17-8-4-6-13-5-2-3-7-16(13)17/h2-3,5,7,9-12,17H,4,6,8H2,1H3.
What are the key properties of methyl 4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzoate?
methyl 4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzoate has a molecular weight of 266.34 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzoate is sourced from PubChem (CID 14816630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).