(2R)-2-[3-[1-(3-phenoxyphenyl)ethoxy]phenoxy]cyclopropane-1-carboxylic acid

C24H22O5 — CID 143583608

IUPAC(2R)-2-[3-[1-(3-phenoxyphenyl)ethoxy]phenoxy]cyclopropane-1-carboxylic acid
SMILESCC(Oc1cccc(O[C@@H]2CC2C(=O)O)c1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H22O5/c1-16(17-7-5-10-19(13-17)28-18-8-3-2-4-9-18)27-20-11-6-12-21(14-20)29-23-15-22(23)24(25)26/h2-14,16,22-23H,15H2,1H3,(H,25,26)/t16?,22?,23-/m1/s1
InChIKeyFXIKEKQYLGLWRQ-KKOYGPPHSA-N
MW390.44 g/mol
LogP5.47
Rot. Bonds8

About (2R)-2-[3-[1-(3-phenoxyphenyl)ethoxy]phenoxy]cyclopropane-1-carboxylic acid

(2R)-2-[3-[1-(3-phenoxyphenyl)ethoxy]phenoxy]cyclopropane-1-carboxylic acid (PubChem CID 143583608) has the molecular formula C24H22O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is (2R)-2-[3-[1-(3-phenoxyphenyl)ethoxy]phenoxy]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[3-[1-(3-phenoxyphenyl)ethoxy]phenoxy]cyclopropane-1-carboxylic acid
PubChem CID143583608
Molecular FormulaC24H22O5
Molecular Weight390.44 g/mol
Exact Mass390.15
IUPAC Name(2R)-2-[3-[1-(3-phenoxyphenyl)ethoxy]phenoxy]cyclopropane-1-carboxylic acid
SMILESCC(Oc1cccc(O[C@@H]2CC2C(=O)O)c1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H22O5/c1-16(17-7-5-10-19(13-17)28-18-8-3-2-4-9-18)27-20-11-6-12-21(14-20)29-23-15-22(23)24(25)26/h2-14,16,22-23H,15H2,1H3,(H,25,26)/t16?,22?,23-/m1/s1
InChIKeyFXIKEKQYLGLWRQ-KKOYGPPHSA-N
XLogP5.47
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-propan-2-ylphenoxy)cyclopentane-1-carboxylic acid
CID 82239783
trans-(1R,2R)-2-[3-(4-cyano-2-methylphenoxy)phenoxy]cyclopropane-1-carboxylic acid
CID 71157653
trans-(1R,2R)-2-[3-[2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy]phenoxy]cyclopropane-1-carboxylic acid
CID 71157688
(1R,2R,3S)-2-iodo-3-[3-[1-(3-phenoxyphenyl)ethoxy]cyclohexa-1,3-dien-1-yl]oxycyclopropane-1-carboxylic acid
CID 89320252
N,N-dimethyl-2-(3-phenoxyphenyl)propanamide
CID 21328452
1-(3-phenoxyphenyl)ethanol
CID 12882419
dimethylamino 2-(3-phenoxyphenyl)propanoate
CID 174905214
calcium;tris(2-(3-phenoxyphenyl)propanoate);dihydrate
CID 51371414
2-(3-phenoxyphenyl)butanoic acid
CID 69314878
1,3-dihydroxypropan-2-yl 2-(3-phenoxyphenyl)propanoate
CID 129318698
(2R)-2-(3-phenoxyphenyl)propanal
CID 92977533
(3-phenoxyphenyl) 2-methylpropanoate
CID 175210389

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[1-(3-phenoxyphenyl)ethoxy]phenoxy]cyclopropane-1-carboxylic acid?
The IUPAC name of (2R)-2-[3-[1-(3-phenoxyphenyl)ethoxy]phenoxy]cyclopropane-1-carboxylic acid (CID 143583608) is (2R)-2-[3-[1-(3-phenoxyphenyl)ethoxy]phenoxy]cyclopropane-1-carboxylic acid.
What is the SMILES notation for (2R)-2-[3-[1-(3-phenoxyphenyl)ethoxy]phenoxy]cyclopropane-1-carboxylic acid?
The canonical SMILES for (2R)-2-[3-[1-(3-phenoxyphenyl)ethoxy]phenoxy]cyclopropane-1-carboxylic acid is CC(Oc1cccc(O[C@@H]2CC2C(=O)O)c1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (2R)-2-[3-[1-(3-phenoxyphenyl)ethoxy]phenoxy]cyclopropane-1-carboxylic acid?
The InChIKey is FXIKEKQYLGLWRQ-KKOYGPPHSA-N. The full InChI is InChI=1S/C24H22O5/c1-16(17-7-5-10-19(13-17)28-18-8-3-2-4-9-18)27-20-11-6-12-21(14-20)29-23-15-22(23)24(25)26/h2-14,16,22-23H,15H2,1H3,(H,25,26)/t16?,22?,23-/m1/s1.
What are the key properties of (2R)-2-[3-[1-(3-phenoxyphenyl)ethoxy]phenoxy]cyclopropane-1-carboxylic acid?
(2R)-2-[3-[1-(3-phenoxyphenyl)ethoxy]phenoxy]cyclopropane-1-carboxylic acid has a molecular weight of 390.44 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[1-(3-phenoxyphenyl)ethoxy]phenoxy]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 143583608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).