(1S,2S,4S)-2-[(4-methoxyphenyl)methoxy]-1-methyl-4-prop-1-en-2-ylcyclopentane-1-carboxylic acid

C18H24O4 — CID 132543717

IUPAC(1S,2S,4S)-2-[(4-methoxyphenyl)methoxy]-1-methyl-4-prop-1-en-2-ylcyclopentane-1-carboxylic acid
SMILESC=C(C)[C@@H]1C[C@H](OCc2ccc(OC)cc2)[C@@](C)(C(=O)O)C1
InChIInChI=1S/C18H24O4/c1-12(2)14-9-16(18(3,10-14)17(19)20)22-11-13-5-7-15(21-4)8-6-13/h5-8,14,16H,1,9-11H2,2-4H3,(H,19,20)/t14-,16+,18+/m1/s1
InChIKeyANEGHJSIANCNND-HFTRVMKXSA-N
MW304.39 g/mol
LogP3.66
Rot. Bonds6

About (1S,2S,4S)-2-[(4-methoxyphenyl)methoxy]-1-methyl-4-prop-1-en-2-ylcyclopentane-1-carboxylic acid

(1S,2S,4S)-2-[(4-methoxyphenyl)methoxy]-1-methyl-4-prop-1-en-2-ylcyclopentane-1-carboxylic acid (PubChem CID 132543717) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is (1S,2S,4S)-2-[(4-methoxyphenyl)methoxy]-1-methyl-4-prop-1-en-2-ylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1S,2S,4S)-2-[(4-methoxyphenyl)methoxy]-1-methyl-4-prop-1-en-2-ylcyclopentane-1-carboxylic acid
PubChem CID132543717
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Name(1S,2S,4S)-2-[(4-methoxyphenyl)methoxy]-1-methyl-4-prop-1-en-2-ylcyclopentane-1-carboxylic acid
SMILESC=C(C)[C@@H]1C[C@H](OCc2ccc(OC)cc2)[C@@](C)(C(=O)O)C1
InChIInChI=1S/C18H24O4/c1-12(2)14-9-16(18(3,10-14)17(19)20)22-11-13-5-7-15(21-4)8-6-13/h5-8,14,16H,1,9-11H2,2-4H3,(H,19,20)/t14-,16+,18+/m1/s1
InChIKeyANEGHJSIANCNND-HFTRVMKXSA-N
XLogP3.66
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,2S,4S)-2-[(4-methoxyphenyl)methoxy]-1-methyl-4-prop-1-en-2-ylcyclopentane-1-carboxylic 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

1-[(3-bromo-2-ethyl-2-methylcyclobutyl)oxymethyl]-4-methoxybenzene
CID 66345113
2-ethyl-3-[(4-methoxyphenyl)methoxy]-2-methylcyclobutan-1-one
CID 66367851
[4-[[(1S,2R,4S,6S)-1-methyl-6-[4-(oxan-2-yloxy)phenyl]-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]oxymethyl]phenyl]methyl acetate
CID 11306725
(3aS,6aS)-3-[(4-methoxyphenyl)methoxy]-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole-1,6a-dicarboxylic acid
CID 170159159
dimethyl 6-[(4-methoxyphenyl)methoxy]-1-prop-2-enylcyclohexane-1,3-dicarboxylate
CID 58237300
6-[(4-methoxyphenyl)methoxy]-7,7-dimethylcyclohept-3-en-1-ol
CID 162420333
(2R,3S,5R,6S)-2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]-6-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,6-dimethyloxan-3-ol
CID 11305715
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
ethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate
CID 118050829
3-chloro-1-[(4-methoxyphenyl)methoxy]spiro[3.5]nonane
CID 66344469
1-[[(1R,2R)-4-iodo-3-phenyl-2-prop-1-en-2-ylcyclopent-3-en-1-yl]oxymethyl]-4-methoxybenzene
CID 102261142
(2R,6R,8S)-2-fluoro-6-[(4-methoxyphenyl)methoxy]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
CID 170357049

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-2-[(4-methoxyphenyl)methoxy]-1-methyl-4-prop-1-en-2-ylcyclopentane-1-carboxylic acid?
The IUPAC name of (1S,2S,4S)-2-[(4-methoxyphenyl)methoxy]-1-methyl-4-prop-1-en-2-ylcyclopentane-1-carboxylic acid (CID 132543717) is (1S,2S,4S)-2-[(4-methoxyphenyl)methoxy]-1-methyl-4-prop-1-en-2-ylcyclopentane-1-carboxylic acid.
What is the SMILES notation for (1S,2S,4S)-2-[(4-methoxyphenyl)methoxy]-1-methyl-4-prop-1-en-2-ylcyclopentane-1-carboxylic acid?
The canonical SMILES for (1S,2S,4S)-2-[(4-methoxyphenyl)methoxy]-1-methyl-4-prop-1-en-2-ylcyclopentane-1-carboxylic acid is C=C(C)[C@@H]1C[C@H](OCc2ccc(OC)cc2)[C@@](C)(C(=O)O)C1.
What is the InChIKey of (1S,2S,4S)-2-[(4-methoxyphenyl)methoxy]-1-methyl-4-prop-1-en-2-ylcyclopentane-1-carboxylic acid?
The InChIKey is ANEGHJSIANCNND-HFTRVMKXSA-N. The full InChI is InChI=1S/C18H24O4/c1-12(2)14-9-16(18(3,10-14)17(19)20)22-11-13-5-7-15(21-4)8-6-13/h5-8,14,16H,1,9-11H2,2-4H3,(H,19,20)/t14-,16+,18+/m1/s1.
What are the key properties of (1S,2S,4S)-2-[(4-methoxyphenyl)methoxy]-1-methyl-4-prop-1-en-2-ylcyclopentane-1-carboxylic acid?
(1S,2S,4S)-2-[(4-methoxyphenyl)methoxy]-1-methyl-4-prop-1-en-2-ylcyclopentane-1-carboxylic acid has a molecular weight of 304.39 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-2-[(4-methoxyphenyl)methoxy]-1-methyl-4-prop-1-en-2-ylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 132543717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).