기본 정보
- CAS
716330-83-5- 표준 SMILES
C=C(C)COc1ccc(-c2n[nH]c(C)c2-c2ccccc2)c(O)c1- InChIKey
VAXWGBXCSPXBFY-UHFFFAOYSA-N- 분자식
- C20H20N2O2
- 평균 분자량
- 320.4 g/mol
이름 및 식별자
- 우선 이름
- 2-(5-methyl-4-phenyl-1H-pyrazol-3-yl)-5-((2-methylallyl)oxy)phenol
- IUPAC
- 2-(5-methyl-4-phenyl-1H-pyrazol-3-yl)-5-(2-methylprop-2-enoxy)phenol
- 영어명
- 2-(5-methyl-4-phenyl-1H-pyrazol-3-yl)-5-[(2-methylprop-2-en-1-yl)oxy]phenol
- 분자식
- C20H20N2O2
- 분자량
- 320.39
이름 및 동의어
MLS0000830812-(5-methyl-4-phenyl-1H-pyrazol-3-yl)-5-((2-methylallyl)oxy)phenol716330-83-5SMR0000458952-(5-methyl-4-phenyl-1H-pyrazol-3-yl)-5-[(2-methylprop-2-en-1-yl)oxy]phenolMLS002584008CHEMBL1430319BDBM56932cid_5389906HMS2173B07STK921726AKOS002224838
이름 더 보기
Phenol, 2-(5-methyl-4-phenyl-1H-pyrazol-3-yl)-5-[(2-methyl-2-propen-1-yl)oxy]-
CCG-275169(6Z)-6-(5-methyl-4-phenyl-1,2-dihydropyrazol-3-ylidene)-3-(2-methylprop-2-enoxy)cyclohexa-2,4-dien-1-oneST50470740F3385-11582-(5-methyl-4-phenyl-1H-pyrazol-3-yl)-5-(2-methylprop-2-enoxy)phenol2-(5-methyl-4-phenylpyrazol-3-yl)-5-(2-methylprop-2-enyloxy)phenol(6Z)-3-(2-methylallyloxy)-6-(5-methyl-4-phenyl-3-pyrazolin-3-ylidene)cyclohexa-2,4-dien-1-one(6Z)-6-(5-methyl-4-phenyl-1,2-dihydropyrazol-3-ylidene)-3-(2-methylprop-2-enoxy)-1-cyclohexa-2,4-dienone
데이터베이스 식별자
- CAS
716330-83-5- ChEMBL
CHEMBL1430319
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 58.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 422
화학 및 산업
공급사4 곳
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