methyl 1-[2,6-bis(phenylmethoxy)phenyl]cyclopropane-1-carboxylate

C25H24O4 — CID 146486756

IUPACmethyl 1-[2,6-bis(phenylmethoxy)phenyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2c(OCc3ccccc3)cccc2OCc2ccccc2)CC1
InChIInChI=1S/C25H24O4/c1-27-24(26)25(15-16-25)23-21(28-17-19-9-4-2-5-10-19)13-8-14-22(23)29-18-20-11-6-3-7-12-20/h2-14H,15-18H2,1H3
InChIKeyJJMANGLCKXKTHG-UHFFFAOYSA-N
MW388.46 g/mol
LogP5.05
Rot. Bonds8

About methyl 1-[2,6-bis(phenylmethoxy)phenyl]cyclopropane-1-carboxylate

methyl 1-[2,6-bis(phenylmethoxy)phenyl]cyclopropane-1-carboxylate (PubChem CID 146486756) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is methyl 1-[2,6-bis(phenylmethoxy)phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2,6-bis(phenylmethoxy)phenyl]cyclopropane-1-carboxylate
PubChem CID146486756
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Namemethyl 1-[2,6-bis(phenylmethoxy)phenyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2c(OCc3ccccc3)cccc2OCc2ccccc2)CC1
InChIInChI=1S/C25H24O4/c1-27-24(26)25(15-16-25)23-21(28-17-19-9-4-2-5-10-19)13-8-14-22(23)29-18-20-11-6-3-7-12-20/h2-14H,15-18H2,1H3
InChIKeyJJMANGLCKXKTHG-UHFFFAOYSA-N
XLogP5.05
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.46
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117457732
methyl 1-[4-[[3-[hydroxy(phenyl)methyl]phenoxy]methyl]phenyl]cyclopropane-1-carboxylate
CID 71113166
1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopentane-1-carboxylic acid
CID 117497648
1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone
CID 59016188
dimethyl (E)-2,3-bis(2-phenylmethoxyphenyl)but-2-enedioate
CID 135020990
(4-phenylmethoxyphenyl) 2,6-dimethoxybenzoate
CID 16644851
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 33042340
methyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclopropane-1-carboxylate
CID 177254785
1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 113198528
methyl 3-[2,3-bis(phenylmethoxy)phenyl]-3-oxopropanoate
CID 19929834
methyl 2-(2-phenylmethoxyphenyl)propanoate
CID 54327103
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2,6-bis(phenylmethoxy)phenyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[2,6-bis(phenylmethoxy)phenyl]cyclopropane-1-carboxylate (CID 146486756) is methyl 1-[2,6-bis(phenylmethoxy)phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[2,6-bis(phenylmethoxy)phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[2,6-bis(phenylmethoxy)phenyl]cyclopropane-1-carboxylate is COC(=O)C1(c2c(OCc3ccccc3)cccc2OCc2ccccc2)CC1.
What is the InChIKey of methyl 1-[2,6-bis(phenylmethoxy)phenyl]cyclopropane-1-carboxylate?
The InChIKey is JJMANGLCKXKTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O4/c1-27-24(26)25(15-16-25)23-21(28-17-19-9-4-2-5-10-19)13-8-14-22(23)29-18-20-11-6-3-7-12-20/h2-14H,15-18H2,1H3.
What are the key properties of methyl 1-[2,6-bis(phenylmethoxy)phenyl]cyclopropane-1-carboxylate?
methyl 1-[2,6-bis(phenylmethoxy)phenyl]cyclopropane-1-carboxylate has a molecular weight of 388.46 g/mol, XLogP of 5.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2,6-bis(phenylmethoxy)phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 146486756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).