Benzoic acid, 3-[(1S)-2-methoxy-1-methylethoxy]-5-(phenylmethoxy)-
기본 정보
- CAS
851885-41-1- 표준 SMILES
COC[C@H](C)Oc1cc(OCc2ccccc2)cc(C(=O)O)c1- InChIKey
PJIAOAQBXXYLRX-ZDUSSCGKSA-N- 분자식
- C18H20O5
- 평균 분자량
- 316.3 g/mol
- 단동위원소 질량
- 316.13107374
이름 및 식별자
- 우선 이름
- Benzoic acid, 3-[(1S)-2-methoxy-1-methylethoxy]-5-(phenylmethoxy)-
- IUPAC
- 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoic acid
이름 및 동의어
851885-41-1Benzoic acid, 3-[(1S)-2-methoxy-1-methylethoxy]-5-(phenylmethoxy)-3-(Benzyloxy)-5-{[(2S)-1-methoxypropan-2-yl]oxy}benzoic acidSCHEMBL1107698DTXSID20731026PJIAOAQBXXYLRX-ZDUSSCGKSA-N3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoic acidSS-53253-benzyloxy-5-((S)-2-methoxy-1-methylethoxy)-benzoic acid3-(benzyloxy)-5-[(1S)-2-methoxy-1-methylethoxy]benzoic acid3-benzyloxy-5-((S)-2-methoxy-1-methyl-ethoxy)-benzoic acid3-benzyloxy-5-[(1S)-2-methoxy-1-methyl-ethoxy]benzoic acid
이름 더 보기
3-benzyloxy-5-[(1S)-2-methoxy-1-methylethoxy]-benzoic acid3-[(1S)-2-Methoxy-(1-methylethyl)oxy]-5-{[phenylmethyl]oxy}benzoic acid3-{[(1S)-1-methyl-2-(methyloxy)ethyl]oxy}-5-[(phenylmethyl)oxy]benzoic acid
데이터베이스 식별자
- CAS
851885-41-1- PubChem CID
- 59127150
- DTXSID
DTXSID20731026
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 65 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 353
관련 반응
24건
화합물 노트
불러오는 중…