ethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid

C19H22O5 — CID 90976255

IUPACethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid
SMILESCC.COC(=O)Cc1cc(OCc2ccccc2)ccc1C(=O)O
InChIInChI=1S/C17H16O5.C2H6/c1-21-16(18)10-13-9-14(7-8-15(13)17(19)20)22-11-12-5-3-2-4-6-12;1-2/h2-9H,10-11H2,1H3,(H,19,20);1-2H3
InChIKeyBPOJNEYDMQLCSH-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.71
Rot. Bonds6

About ethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid

ethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid (PubChem CID 90976255) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is ethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid.

Molecular Properties

Compound Nameethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid
PubChem CID90976255
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Nameethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid
SMILESCC.COC(=O)Cc1cc(OCc2ccccc2)ccc1C(=O)O
InChIInChI=1S/C17H16O5.C2H6/c1-21-16(18)10-13-9-14(7-8-15(13)17(19)20)22-11-12-5-3-2-4-6-12;1-2/h2-9H,10-11H2,1H3,(H,19,20);1-2H3
InChIKeyBPOJNEYDMQLCSH-UHFFFAOYSA-N
XLogP3.71
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-phenylmethoxyphthalic acid
CID 90802135
methyl 2-methyl-4-phenylmethoxybenzoate;2-methyl-4-phenylmethoxybenzoic acid
CID 159295589
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
2-carboxy-5-phenylmethoxyphenolate
CID 86309199
4-phenylmethoxy-2-(trifluoromethyl)benzoic acid;hydrochloride
CID 67852873
4-phenylmethoxy-2-propan-2-ylbenzoic acid
CID 23134235
methyl 2-[2-[[(4-phenylmethoxyphenyl)methylamino]methyl]phenyl]acetate
CID 176907071
methyl 4-phenylmethoxy-2-(trifluoromethylsulfonyloxy)benzoate
CID 10739136
methyl 2-(4-bromobutoxy)-4-phenylmethoxybenzoate
CID 54541902
2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid
CID 10709345
methyl 2-[2-acetamido-4-(4-phenylmethoxyphenyl)phenyl]acetate
CID 59509332

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid?
The IUPAC name of ethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid (CID 90976255) is ethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid.
What is the SMILES notation for ethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid?
The canonical SMILES for ethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid is CC.COC(=O)Cc1cc(OCc2ccccc2)ccc1C(=O)O.
What is the InChIKey of ethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid?
The InChIKey is BPOJNEYDMQLCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5.C2H6/c1-21-16(18)10-13-9-14(7-8-15(13)17(19)20)22-11-12-5-3-2-4-6-12;1-2/h2-9H,10-11H2,1H3,(H,19,20);1-2H3.
What are the key properties of ethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid?
ethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid has a molecular weight of 330.38 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid is sourced from PubChem (CID 90976255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).