기본 정보
- CAS
5219-17-0- 표준 SMILES
CCc1c(-c2ccc(OC)cc2)c(=O)oc2cc(O)ccc12- InChIKey
OFVOGSOIXOYRRC-UHFFFAOYSA-N- 분자식
- C18H16O4
- 평균 분자량
- 296.3 g/mol
- 단동위원소 질량
- 296.10485899
개요
4-ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin is a hydroxycoumarin that is coumarin substituted by an ethyl group at position 4, a hydroxy group at position 7 and a p-methoxyphenyl group at position 3 respectively. It is a monomethoxybenzene and a hydroxycoumarin. It is functionally related to a coumarin.
이름 및 식별자
- 우선 이름
- 4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin
- IUPAC
- 4-ethyl-7-hydroxy-3-(4-methoxyphenyl)chromen-2-one
- 영어명
- 4-ETHYL-7-HYDROXY-3-(P-METHOXYPHENYL)-DIHYDRO-1-BENZOPYRAN-2-ONE
- 분자식
- C18H16O4
- 분자량
- 296.32
이름 및 동의어
4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin5219-17-0SC 7801NSC 82441BRN 0272991UNII-6I6A46K1104-ethyl-7-hydroxy-3-(4-methoxyphenyl)-2H-chromen-2-oneNSC-824416I6A46K110COUMARIN, 4-ETHYL-7-HYDROXY-3-(p-METHOXYPHENYL)-DTXSID60225054-ethyl-7-OH-3-(p-methoxyphenyl)-dihydro-1-benzopyran-2-one
이름 더 보기
4-ETHYL-7-HYDROXY-3-(P-METHOXYPHENYL)-DIHYDRO-1-BENZOPYRAN-2-ONE
CHEBI:344032H-1-Benzopyran-2-one, 4-ethyl-7-hydroxy-3-(4-methoxyphenyl)-4-18-00-01864 (Beilstein Handbook Reference)SC-78014-ethyl-7-hydroxy-3-(4-methoxyphenyl)-2H-1-benzopyran-2-one4-ETHYL-7-OH-3-(P-METHOXYPHENYL)COUMARIN3-(P-METHOXYPHENYL)-4-ETHYL-7-HYDROXYCOUMARINRefChem:98886
데이터베이스 식별자
- CAS
5219-17-0- PubChem CID
- 5284654
- DTXSID
DTXSID6022505- ChEMBL
CHEMBL1974086- ChEBI
CHEBI:34403- UNII
- 6I6A46K110
- Nikkaji
- J118.425C
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 448
화학 및 산업
추가 설명
정의ChEBI: A hydroxycoumarin that is coumarin substituted by an ethyl group at position 4, a hydroxy group at position 7 and a p-methoxyphenyl group at position 3 respectively.
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