ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate

C18H22O3 — CID 143170462

IUPACethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate
SMILESCC.COC(=O)c1cc(-c2ccc(C)cc2)ccc1OC
InChIInChI=1S/C16H16O3.C2H6/c1-11-4-6-12(7-5-11)13-8-9-15(18-2)14(10-13)16(17)19-3;1-2/h4-10H,1-3H3;1-2H3
InChIKeyBFMPHUYARWJQKG-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.48
Rot. Bonds3

About ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate

ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate (PubChem CID 143170462) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate.

Molecular Properties

Compound Nameethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate
PubChem CID143170462
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Nameethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate
SMILESCC.COC(=O)c1cc(-c2ccc(C)cc2)ccc1OC
InChIInChI=1S/C16H16O3.C2H6/c1-11-4-6-12(7-5-11)13-8-9-15(18-2)14(10-13)16(17)19-3;1-2/h4-10H,1-3H3;1-2H3
InChIKeyBFMPHUYARWJQKG-UHFFFAOYSA-N
XLogP4.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methoxy-5-(4-nitrophenyl)benzoate
CID 69207939
methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
CID 14750800
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347
[3,5-bis[(2-methoxy-5-phenylbenzoyl)oxy]phenyl] 2-methoxy-5-phenylbenzoate
CID 20721751
dimethyl 4-(4-methoxyphenyl)benzene-1,2-dicarboxylate
CID 135017986
methyl 4-(3,4-dimethoxyphenyl)benzoate
CID 14570120
methyl 2-methoxy-5-(1,3-oxazol-5-yl)benzoate
CID 118720203
methyl 2-amino-4-(2-methoxy-5-methylphenyl)benzoate
CID 82572853
methyl 2-(4-methylphenoxy)-5-(1H-pyrazol-4-yl)benzoate
CID 155459433
ethane;methyl 2-methoxybenzoate
CID 178037044
methyl 5-methyl-2-(4-methylphenyl)benzoate
CID 22125905
4-methoxy-3-methoxycarbonylbenzenesulfinic acid
CID 165455471

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate?
The IUPAC name of ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate (CID 143170462) is ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate.
What is the SMILES notation for ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate?
The canonical SMILES for ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate is CC.COC(=O)c1cc(-c2ccc(C)cc2)ccc1OC.
What is the InChIKey of ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate?
The InChIKey is BFMPHUYARWJQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3.C2H6/c1-11-4-6-12(7-5-11)13-8-9-15(18-2)14(10-13)16(17)19-3;1-2/h4-10H,1-3H3;1-2H3.
What are the key properties of ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate?
ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate has a molecular weight of 286.37 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate is sourced from PubChem (CID 143170462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).