[5-(4-{1-ethyl-1-[4-(3-ethyl-3-hydroxy-1-pentynyl)-3-methyl-phenyl]-propyl}-phenyl)-pyridin-3-yl]-acetic Acid Methyl Ester

HCID 57443527

기본 정보

표준 SMILES
CCC(O)(C#Cc1ccc(C(CC)(CC)c2ccc(-c3cncc(CC(=O)OC)c3)cc2)cc1C)CC
InChIKey
VJXVEDJLJYMCPE-UHFFFAOYSA-N
분자식
C33H39NO3
평균 분자량
497.7 g/mol
단동위원소 질량
497.29299411

이름 및 식별자

우선 이름
[5-(4-{1-ethyl-1-[4-(3-ethyl-3-hydroxy-1-pentynyl)-3-methyl-phenyl]-propyl}-phenyl)-pyridin-3-yl]-acetic Acid Methyl Ester
IUPAC
methyl 2-[5-[4-[3-[4-(3-ethyl-3-hydroxypent-1-ynyl)-3-methylphenyl]pentan-3-yl]phenyl]-3-pyridinyl]acetate

이름 및 동의어

SCHEMBL1525521VJXVEDJLJYMCPE-UHFFFAOYSA-N[5-(4-{1-ethyl-1-[4-(3-ethyl-3-hydroxy-1-pentynyl)-3-methyl-phenyl]-propyl}-phenyl)-pyridin-3-yl]-acetic Acid Methyl Ester

데이터베이스 식별자

PubChem CID
57443527

물성

구조 계산 물성

XLogP
7.7
극성 표면적
59.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
12
무거운 원자 수
37

관련 반응

4건

화합물 노트

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[5-(4-{1-ethyl-1-[4-(3-ethyl-3-hydroxy-1-pentynyl)-3-methyl-phenyl]-propyl}-phenyl)-pyridin-3-yl]-acetic Acid Methyl Ester (HCID 57443527)|Huagongshe