1-[2-[(2-bromophenyl)methoxy]ethyl]-2,4-diphenylbenzene

C27H23BrO — CID 46217874

IUPAC1-[2-[(2-bromophenyl)methoxy]ethyl]-2,4-diphenylbenzene
SMILESBrc1ccccc1COCCc1ccc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C27H23BrO/c28-27-14-8-7-13-25(27)20-29-18-17-23-15-16-24(21-9-3-1-4-10-21)19-26(23)22-11-5-2-6-12-22/h1-16,19H,17-18,20H2
InChIKeyYEAPYSOEVQRVIB-UHFFFAOYSA-N
MW443.38 g/mol
LogP7.54
Rot. Bonds7

About 1-[2-[(2-bromophenyl)methoxy]ethyl]-2,4-diphenylbenzene

1-[2-[(2-bromophenyl)methoxy]ethyl]-2,4-diphenylbenzene (PubChem CID 46217874) has the molecular formula C27H23BrO and a molecular weight of 443.38 g/mol. Its IUPAC name is 1-[2-[(2-bromophenyl)methoxy]ethyl]-2,4-diphenylbenzene.

Molecular Properties

Compound Name1-[2-[(2-bromophenyl)methoxy]ethyl]-2,4-diphenylbenzene
PubChem CID46217874
Molecular FormulaC27H23BrO
Molecular Weight443.38 g/mol
Exact Mass442.09
IUPAC Name1-[2-[(2-bromophenyl)methoxy]ethyl]-2,4-diphenylbenzene
SMILESBrc1ccccc1COCCc1ccc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C27H23BrO/c28-27-14-8-7-13-25(27)20-29-18-17-23-15-16-24(21-9-3-1-4-10-21)19-26(23)22-11-5-2-6-12-22/h1-16,19H,17-18,20H2
InChIKeyYEAPYSOEVQRVIB-UHFFFAOYSA-N
XLogP7.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.38
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Bis(4-biphenylmethyl)ether
CID 173169
13-Oxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 12173967
1-Bromo-2-(methoxymethyl)naphthalene
CID 12385765
Dodecyl 1-pyrenylmethyl ether
CID 101217238
2-(Naphthalen-2-ylmethoxymethyl)naphthalene
CID 10979425
9-(Phenylmethoxymethyl)anthracene
CID 17992825
11-(1-Pyrenemethoxy)-undecanebromide
CID 21694398
1-{[(5-Bromopentyl)oxy]methyl}pyrene
CID 59847010
1-[(4-Bromobutoxy)methyl]pyrene
CID 71360410
Bis[[1-(4-bromophenyl)-1-phenyl]methyl]ether
CID 129855011
Benz(a)anthracene, 7-(ethoxymethyl)-
CID 44281
Benz(a)anthracene, 7-(methoxymethyl)-12-methyl-
CID 83361

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-bromophenyl)methoxy]ethyl]-2,4-diphenylbenzene?
The IUPAC name of 1-[2-[(2-bromophenyl)methoxy]ethyl]-2,4-diphenylbenzene (CID 46217874) is 1-[2-[(2-bromophenyl)methoxy]ethyl]-2,4-diphenylbenzene.
What is the SMILES notation for 1-[2-[(2-bromophenyl)methoxy]ethyl]-2,4-diphenylbenzene?
The canonical SMILES for 1-[2-[(2-bromophenyl)methoxy]ethyl]-2,4-diphenylbenzene is Brc1ccccc1COCCc1ccc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 1-[2-[(2-bromophenyl)methoxy]ethyl]-2,4-diphenylbenzene?
The InChIKey is YEAPYSOEVQRVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23BrO/c28-27-14-8-7-13-25(27)20-29-18-17-23-15-16-24(21-9-3-1-4-10-21)19-26(23)22-11-5-2-6-12-22/h1-16,19H,17-18,20H2.
What are the key properties of 1-[2-[(2-bromophenyl)methoxy]ethyl]-2,4-diphenylbenzene?
1-[2-[(2-bromophenyl)methoxy]ethyl]-2,4-diphenylbenzene has a molecular weight of 443.38 g/mol, XLogP of 7.54, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-bromophenyl)methoxy]ethyl]-2,4-diphenylbenzene is sourced from PubChem (CID 46217874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).