기본 정보
- 표준 SMILES
CCCOc1ccc2c(c1)C(c1ccc(OC)cc1O)CC2c1ccc2c(c1)OCO2- InChIKey
ZTEVJZORELLTNU-UHFFFAOYSA-N- 분자식
- C26H26O5
- 평균 분자량
- 418.5 g/mol
이름 및 식별자
- 우선 이름
- 3-(2-Hydroxy-4-methoxyphenyl)-1-(3,4-methylenedioxyphenyl)-5-(prop-1-yloxy)indane
- IUPAC
- 2-[3-(1,3-benzodioxol-5-yl)-6-propoxy-2,3-dihydro-1H-inden-1-yl]-5-methoxyphenol
이름 및 동의어
SCHEMBL7813803ZTEVJZORELLTNU-UHFFFAOYSA-N3-(2-Hydroxy-4-methoxyphenyl)-1-(3,4-methylenedioxyphenyl)-5-(prop-1-yloxy)indane(1RS ,3RS)-3-(2-hydroxy-4-methoxyphenyl)-1-(3,4-methylenedioxyphenyl)-5-(prop-1-yloxy)indane(1RS, 3RS)-3-(2-hydroxy-4-methoxyphenyl)-1-(3,4-methylenedioxyphenyl)-5-(prop-1-yloxy)indane(1RS,3 RS)-3-(2-Hydroxy-4-methoxyphenyl)-1-(3,4-methylenedioxiphenyl)-5-(prop-1-yloxy)indane(1RS,3RS )-3-(2-hydroxy-4-methoxyphenyl)-1-(3,4-methylenedioxyphenyl)-5-(prop-1-yloxy)indane(1RS,3RS)-3-(2-Hydroxy-4-methoxyphenyl)-1-(3,4-methylenedioxyphenyl)-5-(prop-1-yloxy)indane(1RS,3RS)-3-(2-Hydroxy-4-methoxyphenyl)1-(3,4-methylenedioxyphenyl)-5-(prop-1-yloxy)indane(1RS,3RS)-3-(2-Hydroxy-4methoxyphenyl)-1-(3,4-methylenedioxypbenyl)-5-(prop-1-yloxy)indane
데이터베이스 식별자
- PubChem CID
- 21713092
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 57.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 584
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24건
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