4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzoic acid

C18H18O3 — CID 63513502

IUPAC4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzoic acid
SMILESCc1ccc(C(=O)O)c(Oc2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C18H18O3/c1-12-6-9-16(18(19)20)17(10-12)21-15-8-7-13-4-2-3-5-14(13)11-15/h6-11H,2-5H2,1H3,(H,19,20)
InChIKeyFTOBOSDHNFUWLI-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.36
Rot. Bonds3

About 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzoic acid

4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzoic acid (PubChem CID 63513502) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzoic acid.

Molecular Properties

Compound Name4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzoic acid
PubChem CID63513502
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzoic acid
SMILESCc1ccc(C(=O)O)c(Oc2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C18H18O3/c1-12-6-9-16(18(19)20)17(10-12)21-15-8-7-13-4-2-3-5-14(13)11-15/h6-11H,2-5H2,1H3,(H,19,20)
InChIKeyFTOBOSDHNFUWLI-UHFFFAOYSA-N
XLogP4.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenoxy)-4-methylbenzoic acid
CID 55107428
2-[4-(2-hydroxyethyl)phenoxy]-4-methylbenzoic acid
CID 107708690
4-methyl-2-(4-sulfamoylphenoxy)benzoic acid
CID 61395743
2-(3-chlorophenoxy)-4-methylbenzoic acid
CID 55107381
2-(3-ethoxyphenoxy)-4-methylbenzoic acid
CID 62702429
2-(3-ethylphenoxy)-4-methylbenzoic acid
CID 63513493
2-(3-chloro-4-cyanophenoxy)-4-methylbenzoic acid
CID 62944909
1-[5-fluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]ethanone
CID 63531904
4-methyl-2-quinolin-7-yloxybenzoic acid
CID 107313379
4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)benzoic acid
CID 107076427
2-(dimethylaminooxy)-4-methylbenzoic acid
CID 89183969
2-methoxy-5-[3-[(2-methylphenyl)carbamoylamino]-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]benzoic acid
CID 121332656

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzoic acid?
The IUPAC name of 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzoic acid (CID 63513502) is 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzoic acid.
What is the SMILES notation for 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzoic acid?
The canonical SMILES for 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzoic acid is Cc1ccc(C(=O)O)c(Oc2ccc3c(c2)CCCC3)c1.
What is the InChIKey of 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzoic acid?
The InChIKey is FTOBOSDHNFUWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-12-6-9-16(18(19)20)17(10-12)21-15-8-7-13-4-2-3-5-14(13)11-15/h6-11H,2-5H2,1H3,(H,19,20).
What are the key properties of 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzoic acid?
4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzoic acid has a molecular weight of 282.34 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzoic acid is sourced from PubChem (CID 63513502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).