ethane;(2R)-2-[3-[(3-methylphenyl)methoxy]phenoxy]cyclopropane-1-carboxylic acid

C20H24O4 — CID 143583590

IUPACethane;(2R)-2-[3-[(3-methylphenyl)methoxy]phenoxy]cyclopropane-1-carboxylic acid
SMILESCC.Cc1cccc(COc2cccc(O[C@@H]3CC3C(=O)O)c2)c1
InChIInChI=1S/C18H18O4.C2H6/c1-12-4-2-5-13(8-12)11-21-14-6-3-7-15(9-14)22-17-10-16(17)18(19)20;1-2/h2-9,16-17H,10-11H2,1H3,(H,19,20);1-2H3/t16?,17-;/m1./s1
InChIKeyUMQNJOOOXCRDMQ-KOUJAAPTSA-N
MW328.41 g/mol
LogP4.45
Rot. Bonds6

About ethane;(2R)-2-[3-[(3-methylphenyl)methoxy]phenoxy]cyclopropane-1-carboxylic acid

ethane;(2R)-2-[3-[(3-methylphenyl)methoxy]phenoxy]cyclopropane-1-carboxylic acid (PubChem CID 143583590) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is ethane;(2R)-2-[3-[(3-methylphenyl)methoxy]phenoxy]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nameethane;(2R)-2-[3-[(3-methylphenyl)methoxy]phenoxy]cyclopropane-1-carboxylic acid
PubChem CID143583590
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Nameethane;(2R)-2-[3-[(3-methylphenyl)methoxy]phenoxy]cyclopropane-1-carboxylic acid
SMILESCC.Cc1cccc(COc2cccc(O[C@@H]3CC3C(=O)O)c2)c1
InChIInChI=1S/C18H18O4.C2H6/c1-12-4-2-5-13(8-12)11-21-14-6-3-7-15(9-14)22-17-10-16(17)18(19)20;1-2/h2-9,16-17H,10-11H2,1H3,(H,19,20);1-2H3/t16?,17-;/m1./s1
InChIKeyUMQNJOOOXCRDMQ-KOUJAAPTSA-N
XLogP4.45
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropylethanone;ethane;methanol;1-methyl-3-(phenoxymethyl)benzene;molecular hydrogen
CID 142258906
3-[(3-methylphenyl)methoxy]phenol
CID 39243397
(E)-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 6065791
4-[[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673483
N-[4-[(3-methylphenyl)methoxy]phenyl]acetamide
CID 8522252
(2R)-2-[[3-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoic acid
CID 95003579
3-[methyl-[2-[3-[(3-methylphenyl)methoxy]phenyl]acetyl]amino]propanoic acid
CID 119362771
3-[(3-methylphenyl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide
CID 120601738
4-[3-[(3-methylphenyl)methoxy]phenyl]but-3-yn-1-ol
CID 60801313
2-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 113098761
1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone
CID 34840464
1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540

Frequently Asked Questions

What is the IUPAC name of ethane;(2R)-2-[3-[(3-methylphenyl)methoxy]phenoxy]cyclopropane-1-carboxylic acid?
The IUPAC name of ethane;(2R)-2-[3-[(3-methylphenyl)methoxy]phenoxy]cyclopropane-1-carboxylic acid (CID 143583590) is ethane;(2R)-2-[3-[(3-methylphenyl)methoxy]phenoxy]cyclopropane-1-carboxylic acid.
What is the SMILES notation for ethane;(2R)-2-[3-[(3-methylphenyl)methoxy]phenoxy]cyclopropane-1-carboxylic acid?
The canonical SMILES for ethane;(2R)-2-[3-[(3-methylphenyl)methoxy]phenoxy]cyclopropane-1-carboxylic acid is CC.Cc1cccc(COc2cccc(O[C@@H]3CC3C(=O)O)c2)c1.
What is the InChIKey of ethane;(2R)-2-[3-[(3-methylphenyl)methoxy]phenoxy]cyclopropane-1-carboxylic acid?
The InChIKey is UMQNJOOOXCRDMQ-KOUJAAPTSA-N. The full InChI is InChI=1S/C18H18O4.C2H6/c1-12-4-2-5-13(8-12)11-21-14-6-3-7-15(9-14)22-17-10-16(17)18(19)20;1-2/h2-9,16-17H,10-11H2,1H3,(H,19,20);1-2H3/t16?,17-;/m1./s1.
What are the key properties of ethane;(2R)-2-[3-[(3-methylphenyl)methoxy]phenoxy]cyclopropane-1-carboxylic acid?
ethane;(2R)-2-[3-[(3-methylphenyl)methoxy]phenoxy]cyclopropane-1-carboxylic acid has a molecular weight of 328.41 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R)-2-[3-[(3-methylphenyl)methoxy]phenoxy]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 143583590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).