5-{4-[1-ethyl-1-(4-hydroxy-3-methyl-phenyl)-propyl]-2-methyl-phenyl}-4-methyl-thiophene-2-carboxylic Acid Methyl Ester

HCID 57443485

기본 정보

표준 SMILES
CCC(CC)(c1ccc(O)c(C)c1)c1ccc(-c2sc(C(=O)OC)cc2C)c(C)c1
InChIKey
BZGWIPVSUNDGCL-UHFFFAOYSA-N
분자식
C26H30O3S
평균 분자량
422.6 g/mol

이름 및 식별자

우선 이름
5-{4-[1-ethyl-1-(4-hydroxy-3-methyl-phenyl)-propyl]-2-methyl-phenyl}-4-methyl-thiophene-2-carboxylic Acid Methyl Ester
IUPAC
methyl 5-[4-[3-(4-hydroxy-3-methylphenyl)pentan-3-yl]-2-methylphenyl]-4-methylthiophene-2-carboxylate

이름 및 동의어

SCHEMBL1525201BZGWIPVSUNDGCL-UHFFFAOYSA-N5-{4-[1-ethyl-1-(4-hydroxy-3-methyl-phenyl)-propyl]-2-methyl-phenyl}-4-methyl-thiophene-2-carboxylic Acid Methyl Ester

데이터베이스 식별자

PubChem CID
57443485

물성

구조 계산 물성

XLogP
8.1
극성 표면적
74.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
7
무거운 원자 수
30

관련 반응

4건

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