(3'-(Hydroxymethyl)-6-methyl-4-[3-(methylsulfonyl)propoxy]biphenyl-2-yl)methyl acetate

HCID 59342573

기본 정보

표준 SMILES
CC(=O)OCc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(CO)c1
InChIKey
AIRMASUASKAPGN-UHFFFAOYSA-N
분자식
C21H26O6S
평균 분자량
406.5 g/mol

이름 및 식별자

우선 이름
(3'-(Hydroxymethyl)-6-methyl-4-[3-(methylsulfonyl)propoxy]biphenyl-2-yl)methyl acetate
IUPAC
[2-[3-(hydroxymethyl)phenyl]-3-methyl-5-(3-methylsulfonylpropoxy)phenyl]methyl acetate

이름 및 동의어

(3'-(hydroxymethyl)-6-methyl-4-[3-(methylsulfonyl)propoxy]biphenyl-2-yl)methyl acetate{3'-(hydroxymethyl)-6-methyl-4-[3-(methylsulfonyl)propoxy]biphenyl-2-yl}methyl acetateSCHEMBL204792AIRMASUASKAPGN-UHFFFAOYSA-N

데이터베이스 식별자

PubChem CID
59342573

물성

구조 계산 물성

XLogP
2.4
극성 표면적
98.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
10
무거운 원자 수
28

관련 반응

9건

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