4-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid

C15H20O2 — CID 117336753

IUPAC4-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid
SMILESCc1ccc(CCCC(=O)O)c2c1CCCC2
InChIInChI=1S/C15H20O2/c1-11-9-10-12(5-4-8-15(16)17)14-7-3-2-6-13(11)14/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyYYPJIXACLSDKCW-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.28
Rot. Bonds4

About 4-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid

4-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid (PubChem CID 117336753) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid
PubChem CID117336753
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name4-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid
SMILESCc1ccc(CCCC(=O)O)c2c1CCCC2
InChIInChI=1S/C15H20O2/c1-11-9-10-12(5-4-8-15(16)17)14-7-3-2-6-13(11)14/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyYYPJIXACLSDKCW-UHFFFAOYSA-N
XLogP3.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(7-methyl-2,3-dihydro-1H-inden-4-yl)acetic acid
CID 117281877
5-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanoic acid
CID 12646162
4-[5-(fluoromethyl)-2-methylphenyl]butanoic acid
CID 117300398
4-(3-chloro-2-hydroxy-4-methylphenyl)butanoic acid
CID 117329471
(7-methyl-2,3-dihydro-1H-inden-4-yl)methanol
CID 117276140
(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methanamine
CID 115014565
4-(2-fluoro-3-methylphenyl)butanoic acid
CID 83698983
4-(4-tert-butyl-2-methylphenyl)butanoic acid
CID 82496433
4-(17-carboxyheptadecyl)-3-methylbenzoic acid
CID 54333314
4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid
CID 138459303
4-[2-(2,3,4-trimethylphenyl)ethylamino]butanoic acid
CID 115218755
4-(2-methyl-4-methylsulfonylphenyl)butanoic acid
CID 117394411

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid?
The IUPAC name of 4-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid (CID 117336753) is 4-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid.
What is the SMILES notation for 4-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid?
The canonical SMILES for 4-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid is Cc1ccc(CCCC(=O)O)c2c1CCCC2.
What is the InChIKey of 4-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid?
The InChIKey is YYPJIXACLSDKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-11-9-10-12(5-4-8-15(16)17)14-7-3-2-6-13(11)14/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of 4-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid?
4-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid has a molecular weight of 232.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid is sourced from PubChem (CID 117336753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).