methyl 1-[4-[[3-[hydroxy(phenyl)methyl]phenoxy]methyl]phenyl]cyclopropane-1-carboxylate

C25H24O4 — CID 71113166

IUPACmethyl 1-[4-[[3-[hydroxy(phenyl)methyl]phenoxy]methyl]phenyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(COc3cccc(C(O)c4ccccc4)c3)cc2)CC1
InChIInChI=1S/C25H24O4/c1-28-24(27)25(14-15-25)21-12-10-18(11-13-21)17-29-22-9-5-8-20(16-22)23(26)19-6-3-2-4-7-19/h2-13,16,23,26H,14-15,17H2,1H3
InChIKeyGWEDOIUAOVTUPB-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.55
Rot. Bonds7

About methyl 1-[4-[[3-[hydroxy(phenyl)methyl]phenoxy]methyl]phenyl]cyclopropane-1-carboxylate

methyl 1-[4-[[3-[hydroxy(phenyl)methyl]phenoxy]methyl]phenyl]cyclopropane-1-carboxylate (PubChem CID 71113166) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is methyl 1-[4-[[3-[hydroxy(phenyl)methyl]phenoxy]methyl]phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-[[3-[hydroxy(phenyl)methyl]phenoxy]methyl]phenyl]cyclopropane-1-carboxylate
PubChem CID71113166
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Namemethyl 1-[4-[[3-[hydroxy(phenyl)methyl]phenoxy]methyl]phenyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(COc3cccc(C(O)c4ccccc4)c3)cc2)CC1
InChIInChI=1S/C25H24O4/c1-28-24(27)25(14-15-25)21-12-10-18(11-13-21)17-29-22-9-5-8-20(16-22)23(26)19-6-3-2-4-7-19/h2-13,16,23,26H,14-15,17H2,1H3
InChIKeyGWEDOIUAOVTUPB-UHFFFAOYSA-N
XLogP4.55
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methanol
CID 69204493
methyl 1-[2,6-bis(phenylmethoxy)phenyl]cyclopropane-1-carboxylate
CID 146486756
trans-(1S,2S)-2-methoxycarbonyl-2-(3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 10172009
1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone
CID 59016188
1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 113198528
methyl 4-[[3-[(1S)-1-phenylethyl]phenoxy]methyl]benzoate
CID 144638944
methyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate
CID 169171763
1-[4-[[3-[(1-azabicyclo[2.2.2]octan-3-yloxycarbonylamino)-phenylmethyl]phenoxy]methyl]phenyl]cyclohexane-1-carboxylic acid
CID 71257162
3,5-bis(3-phenylmethoxyphenyl)heptan-4-one
CID 139719265
1-(3-phenylmethoxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66685367
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
2-[hydroxy-(3-phenylmethoxyphenyl)methyl]butanoic acid
CID 67882455

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-[[3-[hydroxy(phenyl)methyl]phenoxy]methyl]phenyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[4-[[3-[hydroxy(phenyl)methyl]phenoxy]methyl]phenyl]cyclopropane-1-carboxylate (CID 71113166) is methyl 1-[4-[[3-[hydroxy(phenyl)methyl]phenoxy]methyl]phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[4-[[3-[hydroxy(phenyl)methyl]phenoxy]methyl]phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[4-[[3-[hydroxy(phenyl)methyl]phenoxy]methyl]phenyl]cyclopropane-1-carboxylate is COC(=O)C1(c2ccc(COc3cccc(C(O)c4ccccc4)c3)cc2)CC1.
What is the InChIKey of methyl 1-[4-[[3-[hydroxy(phenyl)methyl]phenoxy]methyl]phenyl]cyclopropane-1-carboxylate?
The InChIKey is GWEDOIUAOVTUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O4/c1-28-24(27)25(14-15-25)21-12-10-18(11-13-21)17-29-22-9-5-8-20(16-22)23(26)19-6-3-2-4-7-19/h2-13,16,23,26H,14-15,17H2,1H3.
What are the key properties of methyl 1-[4-[[3-[hydroxy(phenyl)methyl]phenoxy]methyl]phenyl]cyclopropane-1-carboxylate?
methyl 1-[4-[[3-[hydroxy(phenyl)methyl]phenoxy]methyl]phenyl]cyclopropane-1-carboxylate has a molecular weight of 388.46 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-[[3-[hydroxy(phenyl)methyl]phenoxy]methyl]phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 71113166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).