1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene

C28H24O — CID 12846254

IUPAC1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene
SMILESCOc1ccc(C2(c3ccccc3)CC2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24O/c1-29-26-19-17-25(18-20-26)28(24-15-9-4-10-16-24)21-27(28,22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-20H,21H2,1H3
InChIKeyYHWSPUQJIDWFOT-UHFFFAOYSA-N
MW376.50 g/mol
LogP6.37
Rot. Bonds5

About 1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene

1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene (PubChem CID 12846254) has the molecular formula C28H24O and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene
PubChem CID12846254
Molecular FormulaC28H24O
Molecular Weight376.50 g/mol
Exact Mass376.18
IUPAC Name1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene
SMILESCOc1ccc(C2(c3ccccc3)CC2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24O/c1-29-26-19-17-25(18-20-26)28(24-15-9-4-10-16-24)21-27(28,22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-20H,21H2,1H3
InChIKeyYHWSPUQJIDWFOT-UHFFFAOYSA-N
XLogP6.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene
CID 12846256
trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate
CID 101031534
cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate
CID 101031556
2-(4-methoxyphenyl)-2-phenylindene-1,3-dione
CID 10664026
anisole;trihydrofluoride
CID 174796385
CID 172685187
CID 172685187
anisole;hydrochloride
CID 158800007
1-methoxy-4-(1,3,4-trimethylcyclopent-3-en-1-yl)benzene
CID 10965945
1-[3-bromo-2-(4-methoxyphenyl)-3-phenylcyclopropen-1-yl]-4-methoxybenzene
CID 134870119
2-(4-methoxyphenyl)-1,3-dihydroinden-2-ol
CID 15112860
acetylene;anisole
CID 86033716
1-(4-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid
CID 65000749

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene?
The IUPAC name of 1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene (CID 12846254) is 1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene.
What is the SMILES notation for 1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene?
The canonical SMILES for 1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene is COc1ccc(C2(c3ccccc3)CC2(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene?
The InChIKey is YHWSPUQJIDWFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O/c1-29-26-19-17-25(18-20-26)28(24-15-9-4-10-16-24)21-27(28,22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-20H,21H2,1H3.
What are the key properties of 1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene?
1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene has a molecular weight of 376.50 g/mol, XLogP of 6.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene is sourced from PubChem (CID 12846254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).