methyl 3-chloro-5-phenylmethoxybenzoate

C15H13ClO3 — CID 70086004

IUPACmethyl 3-chloro-5-phenylmethoxybenzoate
SMILESCOC(=O)c1cc(Cl)cc(OCc2ccccc2)c1
InChIInChI=1S/C15H13ClO3/c1-18-15(17)12-7-13(16)9-14(8-12)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyBZMHEVNFGLZCCW-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.71
Rot. Bonds4

About methyl 3-chloro-5-phenylmethoxybenzoate

methyl 3-chloro-5-phenylmethoxybenzoate (PubChem CID 70086004) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is methyl 3-chloro-5-phenylmethoxybenzoate.

Molecular Properties

Compound Namemethyl 3-chloro-5-phenylmethoxybenzoate
PubChem CID70086004
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Namemethyl 3-chloro-5-phenylmethoxybenzoate
SMILESCOC(=O)c1cc(Cl)cc(OCc2ccccc2)c1
InChIInChI=1S/C15H13ClO3/c1-18-15(17)12-7-13(16)9-14(8-12)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyBZMHEVNFGLZCCW-UHFFFAOYSA-N
XLogP3.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate
CID 24813623
methyl 3,5-bis[3-(4-phenylmethoxyphenoxy)propoxy]benzoate
CID 54529309
methyl 3-[(2S)-butan-2-yl]oxy-5-phenylmethoxybenzoate
CID 59127096
methyl 5-phenylmethoxypyridine-3-carboxylate
CID 57421820
methyl 3-chloro-5-[2-[phenylmethoxycarbonyl(pyridin-4-yl)amino]ethoxy]benzoate
CID 54506147
methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoate;sulfane
CID 161286829
dimethyl 5-[[3-[[3,5-bis[[3,5-bis[[3,5-bis(methoxycarbonyl)phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[3,5-bis(methoxycarbonyl)phenoxy]methyl]phenyl]methoxy]benzene-1,3-dicarboxylate
CID 23245644
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
methyl 3-(1-cyanopropyl)-5-phenylmethoxybenzoate
CID 91040171
methyl 3,5-bis[(4-tert-butylphenyl)methoxy]benzoate
CID 135035006

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-5-phenylmethoxybenzoate?
The IUPAC name of methyl 3-chloro-5-phenylmethoxybenzoate (CID 70086004) is methyl 3-chloro-5-phenylmethoxybenzoate.
What is the SMILES notation for methyl 3-chloro-5-phenylmethoxybenzoate?
The canonical SMILES for methyl 3-chloro-5-phenylmethoxybenzoate is COC(=O)c1cc(Cl)cc(OCc2ccccc2)c1.
What is the InChIKey of methyl 3-chloro-5-phenylmethoxybenzoate?
The InChIKey is BZMHEVNFGLZCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-18-15(17)12-7-13(16)9-14(8-12)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3.
What are the key properties of methyl 3-chloro-5-phenylmethoxybenzoate?
methyl 3-chloro-5-phenylmethoxybenzoate has a molecular weight of 276.72 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-5-phenylmethoxybenzoate is sourced from PubChem (CID 70086004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).