기본 정보
- 표준 SMILES
COC(=O)COc1ccc(OC/C=C(/c2ccc(C)cc2)c2ccc(I)cc2)cc1C- InChIKey
PLWRSCIYQUHABP-OYKKKHCWSA-N- 분자식
- C26H25IO4
- 평균 분자량
- 528.4 g/mol
이름 및 식별자
- 우선 이름
- methyl (Z)-[2-methyl-4-[3-(4-iodophenyl)-3-(4-methylphenyl)allyloxy]-phenoxy]acetate
- IUPAC
- methyl 2-[4-[(Z)-3-(4-iodophenyl)-3-(4-methylphenyl)prop-2-enoxy]-2-methylphenoxy]acetate
이름 및 동의어
methyl (Z)-[2-methyl-4-[3-(4-iodophenyl)-3-(4-methylphenyl)allyloxy]-phenoxy]acetatemethyl (Z)-[2-methyl-4-[3-(4-iodophenyl)-3-(4-methylphenyl]allyloxy]-phenoxy]acetatemethyl (Z)-[4-[3-(4-iodophenyl)-3-(4-methylphenyl)allyloxy]-2-methylphenoxy]acetatemethyl (Z)-[4-[3-(4-iodophenyl)-3-(4-methylphenyl)allyloxy]-2-methylphenoxy}acetatePLWRSCIYQUHABP-OYKKKHCWSA-Nmethyl (Z)-[2-methyl-4-[3(4-iodophenyl)-3-(4-methylphenyl)allyloxy]-phenoxy]acetate
데이터베이스 식별자
- PubChem CID
- 86658271
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 44.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 576
관련 반응
9건
화합물 노트
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