2-[2-(3-methylphenyl)ethyl]-4-propylbenzoic acid

C19H22O2 — CID 70281448

IUPAC2-[2-(3-methylphenyl)ethyl]-4-propylbenzoic acid
SMILESCCCc1ccc(C(=O)O)c(CCc2cccc(C)c2)c1
InChIInChI=1S/C19H22O2/c1-3-5-15-9-11-18(19(20)21)17(13-15)10-8-16-7-4-6-14(2)12-16/h4,6-7,9,11-13H,3,5,8,10H2,1-2H3,(H,20,21)
InChIKeyFJLPAUBRRWVEOV-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.43
Rot. Bonds6

About 2-[2-(3-methylphenyl)ethyl]-4-propylbenzoic acid

2-[2-(3-methylphenyl)ethyl]-4-propylbenzoic acid (PubChem CID 70281448) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)ethyl]-4-propylbenzoic acid.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)ethyl]-4-propylbenzoic acid
PubChem CID70281448
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name2-[2-(3-methylphenyl)ethyl]-4-propylbenzoic acid
SMILESCCCc1ccc(C(=O)O)c(CCc2cccc(C)c2)c1
InChIInChI=1S/C19H22O2/c1-3-5-15-9-11-18(19(20)21)17(13-15)10-8-16-7-4-6-14(2)12-16/h4,6-7,9,11-13H,3,5,8,10H2,1-2H3,(H,20,21)
InChIKeyFJLPAUBRRWVEOV-UHFFFAOYSA-N
XLogP4.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-[2-[2-(2-phenylethyl)phenyl]ethyl]benzoic acid
CID 22675489
2,5-dipropylbenzoic acid
CID 139904729
2-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzoic acid
CID 115923659
3-propylphthalic acid;4-propylphthalic acid
CID 159854909
2-methyl-4-(2-phenylethyl)benzoic acid
CID 71133874
4-methyl-2-tetradecylbenzoic acid
CID 174671102
2-hexyl-4-methylbenzoic acid
CID 67543918
1-(4-butylphenyl)-3-(3-methylphenyl)propan-2-one;1-(4-methylphenyl)-3-(4-propylphenyl)propan-2-one
CID 174915698
2-ethyl-4-methylbenzoic acid
CID 19886963
2-[(3-methylphenyl)methylsulfanylmethyl]benzoic acid
CID 62769683
furan;1-methyl-3-propylbenzene
CID 90871497
2-[2-(3-carboxyphenyl)ethyl]benzoic acid
CID 22404884

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)ethyl]-4-propylbenzoic acid?
The IUPAC name of 2-[2-(3-methylphenyl)ethyl]-4-propylbenzoic acid (CID 70281448) is 2-[2-(3-methylphenyl)ethyl]-4-propylbenzoic acid.
What is the SMILES notation for 2-[2-(3-methylphenyl)ethyl]-4-propylbenzoic acid?
The canonical SMILES for 2-[2-(3-methylphenyl)ethyl]-4-propylbenzoic acid is CCCc1ccc(C(=O)O)c(CCc2cccc(C)c2)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)ethyl]-4-propylbenzoic acid?
The InChIKey is FJLPAUBRRWVEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-3-5-15-9-11-18(19(20)21)17(13-15)10-8-16-7-4-6-14(2)12-16/h4,6-7,9,11-13H,3,5,8,10H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-(3-methylphenyl)ethyl]-4-propylbenzoic acid?
2-[2-(3-methylphenyl)ethyl]-4-propylbenzoic acid has a molecular weight of 282.38 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)ethyl]-4-propylbenzoic acid is sourced from PubChem (CID 70281448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).