2-(6-methoxynaphthalen-2-yl)-2-methylcyclopropane-1-carboxylic acid

C16H16O3 — CID 62387826

IUPAC2-(6-methoxynaphthalen-2-yl)-2-methylcyclopropane-1-carboxylic acid
SMILESCOc1ccc2cc(C3(C)CC3C(=O)O)ccc2c1
InChIInChI=1S/C16H16O3/c1-16(9-14(16)15(17)18)12-5-3-11-8-13(19-2)6-4-10(11)7-12/h3-8,14H,9H2,1-2H3,(H,17,18)
InChIKeyYRJRGOQQENCQGY-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.21
Rot. Bonds3

About 2-(6-methoxynaphthalen-2-yl)-2-methylcyclopropane-1-carboxylic acid

2-(6-methoxynaphthalen-2-yl)-2-methylcyclopropane-1-carboxylic acid (PubChem CID 62387826) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(6-methoxynaphthalen-2-yl)-2-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(6-methoxynaphthalen-2-yl)-2-methylcyclopropane-1-carboxylic acid
PubChem CID62387826
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-(6-methoxynaphthalen-2-yl)-2-methylcyclopropane-1-carboxylic acid
SMILESCOc1ccc2cc(C3(C)CC3C(=O)O)ccc2c1
InChIInChI=1S/C16H16O3/c1-16(9-14(16)15(17)18)12-5-3-11-8-13(19-2)6-4-10(11)7-12/h3-8,14H,9H2,1-2H3,(H,17,18)
InChIKeyYRJRGOQQENCQGY-UHFFFAOYSA-N
XLogP3.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2,2-bis(4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 129362220
cis-(1R,2S)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252591
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252590
[1-(6-methoxynaphthalen-2-yl)-2-methylcyclopropyl]methanol
CID 116842587
2-methyl-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 62389548
3-(6-methoxynaphthalen-2-yl)oxetane-3-carboxylic acid
CID 116871824
trans-(1S,2S)-N,N,2-trimethyl-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 102346585
(6-methoxynaphthalen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66477818
2-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxylic acid
CID 63271050
4-(3-methoxyphenyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63939230
(2-hydroxyphenyl)-[(1S,2S)-2-methyl-2-naphthalen-2-ylcyclopropyl]methanone
CID 102261669
5-ethyl-4-(6-methoxynaphthalen-2-yl)-4-methylpyrrolidin-2-one
CID 66108722

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxynaphthalen-2-yl)-2-methylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-(6-methoxynaphthalen-2-yl)-2-methylcyclopropane-1-carboxylic acid (CID 62387826) is 2-(6-methoxynaphthalen-2-yl)-2-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(6-methoxynaphthalen-2-yl)-2-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(6-methoxynaphthalen-2-yl)-2-methylcyclopropane-1-carboxylic acid is COc1ccc2cc(C3(C)CC3C(=O)O)ccc2c1.
What is the InChIKey of 2-(6-methoxynaphthalen-2-yl)-2-methylcyclopropane-1-carboxylic acid?
The InChIKey is YRJRGOQQENCQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-16(9-14(16)15(17)18)12-5-3-11-8-13(19-2)6-4-10(11)7-12/h3-8,14H,9H2,1-2H3,(H,17,18).
What are the key properties of 2-(6-methoxynaphthalen-2-yl)-2-methylcyclopropane-1-carboxylic acid?
2-(6-methoxynaphthalen-2-yl)-2-methylcyclopropane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxynaphthalen-2-yl)-2-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 62387826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).