1-(4-Methoxyphenyl)-2-phenylethan-1-one

HCID 231093CAS 1023-17-2

기본 정보

표준 SMILES: COc1ccc(C(=O)Cc2ccccc2)cc1
InChIKey: PLALKSRAHVYFOH-UHFFFAOYSA-N
분자식: C15H14O2
평균 분자량: 226.27 g/mol
단동위원소 질량: 226.09937969

이름 및 식별자

우선 이름: 1-(4-Methoxyphenyl)-2-phenylethan-1-one
IUPAC: 1-(4-methoxyphenyl)-2-phenylethanone
영어명: 4'-METHOXY-2-PHENYLACETOPHENONE
분자식: C15H14O2
분자량: 226.27

이름 및 동의어

1-(4-methoxyphenyl)-2-phenylethan-1-oneDTXSID80907346RefChem:425759DTXCID0013364361023-17-21-(4-methoxyphenyl)-2-phenylethanone4'-Methoxy-2-phenylacetophenoneEthanone, 1-(4-methoxyphenyl)-2-phenyl-MFCD000171774-methoxydeoxybenzoin1-(4-Methoxyphenyl)acetophenonep-ANISYL BENZYL KETONE

이름 더 보기

4-METHOXYPHENYLBENZYL KETONE4-Methoxy Phenyl AcetofenoneBENZYL 4-METHOXYPHENYL KETONE-METHOXY-2-PHENYLACETOPHENONEBenzyl p-Methoxyphenyl Ketone4-Methoxy-α-phenylacetophenone

1-(4-Methoxy-phenyl)-2-phenyl-ethanone1-(4-methoxyphenyl)-2-phenyl-ethanone2-Phenyl-p-methoxyacetophenoneNSC26658p-phenylacetylanisole2-phenyl-1-(4-methoxyphenyl)ethanone4-methoxydesoxybenzoindeoxy-4-methoxybenzoin

데이터베이스 식별자

CAS: 1023-17-2
PubChem CID: 231093
DTXSID: DTXSID80907346
ChEMBL: CHEMBL1860260
EC Number: 899-788-4
Nikkaji: J705.997C

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 235

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical diffusion

물리화학적 성질

녹는점: 77 · 77-78 °C
끓는 점: 380 · 380.0±17.0 °C(Predicted)
밀도: 1.1 · 1.100±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 디클로로메탄, 에틸아세테이트에용해됨
물리적 상태: 고체
색상: 백색 결정체
InChI: InChI=1S/C15H14O2/c1-17-14-9-7-13(8-10-14)15(16)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey: PLALKSRAHVYFOH-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(OC)C=C1)CC1=CC=CC=C1

화학적 성질

White Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.