Methyl [4-(4-bromomethyl-3-isopropyl-phenylethynyl)-phenyl]-acetate

HCID 86585936

기본 정보

표준 SMILES
COC(=O)Cc1ccc(C#Cc2ccc(CBr)c(C(C)C)c2)cc1
InChIKey
KZVQCMYLPRJBGN-UHFFFAOYSA-N
분자식
C21H21BrO2
평균 분자량
385.3 g/mol

이름 및 식별자

우선 이름
Methyl [4-(4-bromomethyl-3-isopropyl-phenylethynyl)-phenyl]-acetate
IUPAC
methyl 2-[4-[2-[4-(bromomethyl)-3-propan-2-ylphenyl]ethynyl]phenyl]acetate

이름 및 동의어

KZVQCMYLPRJBGN-UHFFFAOYSA-Nmethyl [4-(4-bromomethyl-3-isopropyl-phenylethynyl)-phenyl]-acetateMethyl[4-(4-bromomethyl-3-isoproply-phenylethynyl)-phenyl]-acetatemethyl[4-(4-bromomethyl-3-isopropyl-phenylethynyl)-phenyl]-acetateMethyl [4-(4-bromomethyl-3 -isopropyl-phenylethvnyl)-phenyl] -acetatemethyl [4-(4-bromomethyl-3-isopropyl -phenylethynyl)-phenyl]-acetate

데이터베이스 식별자

PubChem CID
86585936

물성

구조 계산 물성

XLogP
5.4
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
7
무거운 원자 수
24

관련 반응

32건

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