1-[(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid

C16H16O2 — CID 116928817

IUPAC1-[(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc2cc(CC3(C(=O)O)CC3)ccc2c1
InChIInChI=1S/C16H16O2/c1-11-2-4-14-9-12(3-5-13(14)8-11)10-16(6-7-16)15(17)18/h2-5,8-9H,6-7,10H2,1H3,(H,17,18)
InChIKeyXBWYJOUPSPLFMS-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.56
Rot. Bonds3

About 1-[(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid

1-[(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 116928817) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid
PubChem CID116928817
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1-[(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc2cc(CC3(C(=O)O)CC3)ccc2c1
InChIInChI=1S/C16H16O2/c1-11-2-4-14-9-12(3-5-13(14)8-11)10-16(6-7-16)15(17)18/h2-5,8-9H,6-7,10H2,1H3,(H,17,18)
InChIKeyXBWYJOUPSPLFMS-UHFFFAOYSA-N
XLogP3.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid (CID 116928817) is 1-[(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid is Cc1ccc2cc(CC3(C(=O)O)CC3)ccc2c1.
What is the InChIKey of 1-[(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is XBWYJOUPSPLFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-2-4-14-9-12(3-5-13(14)8-11)10-16(6-7-16)15(17)18/h2-5,8-9H,6-7,10H2,1H3,(H,17,18).
What are the key properties of 1-[(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid?
1-[(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116928817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).