(1R,2S,3R,4R)-4-chloro-3-[(Z)-hex-2-enyl]-2-[[4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol;yttrium

C20H28ClO3Y- — CID 58378700

IUPAC(1R,2S,3R,4R)-4-chloro-3-[(Z)-hex-2-enyl]-2-[[4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol;yttrium
SMILES[CH2-]CC/C=C\C[C@@H]1[C@@H](COc2ccc(C(C)O)cc2)[C@H](O)C[C@H]1Cl.[Y]
InChIInChI=1S/C20H28ClO3.Y/c1-3-4-5-6-7-17-18(20(23)12-19(17)21)13-24-16-10-8-15(9-11-16)14(2)22;/h5-6,8-11,14,17-20,22-23H,1,3-4,7,12-13H2,2H3;/q-1;/b6-5-;/t14?,17-,18-,19-,20-;/m1./s1
InChIKeyPYLKZFVZFHZUKC-MVYZGTTHSA-N
MW440.80 g/mol
LogP4.28
Rot. Bonds8

About (1R,2S,3R,4R)-4-chloro-3-[(Z)-hex-2-enyl]-2-[[4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol;yttrium

(1R,2S,3R,4R)-4-chloro-3-[(Z)-hex-2-enyl]-2-[[4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol;yttrium (PubChem CID 58378700) has the molecular formula C20H28ClO3Y- and a molecular weight of 440.80 g/mol. Its IUPAC name is (1R,2S,3R,4R)-4-chloro-3-[(Z)-hex-2-enyl]-2-[[4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol;yttrium.

Molecular Properties

Compound Name(1R,2S,3R,4R)-4-chloro-3-[(Z)-hex-2-enyl]-2-[[4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol;yttrium
PubChem CID58378700
Molecular FormulaC20H28ClO3Y-
Molecular Weight440.80 g/mol
Exact Mass440.08
IUPAC Name(1R,2S,3R,4R)-4-chloro-3-[(Z)-hex-2-enyl]-2-[[4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol;yttrium
SMILES[CH2-]CC/C=C\C[C@@H]1[C@@H](COc2ccc(C(C)O)cc2)[C@H](O)C[C@H]1Cl.[Y]
InChIInChI=1S/C20H28ClO3.Y/c1-3-4-5-6-7-17-18(20(23)12-19(17)21)13-24-16-10-8-15(9-11-16)14(2)22;/h5-6,8-11,14,17-20,22-23H,1,3-4,7,12-13H2,2H3;/q-1;/b6-5-;/t14?,17-,18-,19-,20-;/m1./s1
InChIKeyPYLKZFVZFHZUKC-MVYZGTTHSA-N
XLogP4.28
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.80
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,2S,3R,4R)-4-chloro-3-[(Z)-hex-2-enyl]-2-[[4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol;yttrium 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

7-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]cyclopentyl]hept-5-enoic acid
CID 67527965
2-hydroxyethyl (Z)-7-[(1R,2S,3R,5R)-5-chloro-2-[(4-chlorophenoxy)methyl]-3-hydroxycyclopentyl]hept-5-enoate
CID 44546093
(Z)-7-[(1R,2S,3R,5S)-5-chloro-2-[(3,5-dimethylphenoxy)methyl]-3-hydroxycyclopentyl]hept-5-enoic acid
CID 67527560
(Z)-10-[(1R,2S,3R,5R)-5-chloro-2-[(3,5-dichlorophenoxy)methyl]-3-hydroxycyclopentyl]-1-hydroxydec-8-en-4-one
CID 89272224
7-[(1R,2S,3R,5S)-5-chloro-2-[[3-chloro-5-(hydroxymethyl)phenoxy]methyl]-3-hydroxycyclopentyl]hept-5-enoic acid
CID 67211702
prop-2-enyl (Z)-7-[(1R,2S,3R,5R)-5-chloro-2-[[4-[(1S)-1-hydroxybutyl]phenoxy]methyl]-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoate
CID 89321185
7-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[[2-(2-hydroxyethyl)phenoxy]methyl]cyclopentyl]hept-5-enoic acid
CID 67527448
(1S)-1-[4-(2-chloroprop-2-enoxy)phenyl]ethanol
CID 78930519
1-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,3-dimethylbutan-2-ol
CID 114265284
1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanol
CID 66364563
(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 63364123
1-cyclopentyl-3-[4-(1-hydroxyethyl)phenoxy]propan-2-ol
CID 103158944

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4R)-4-chloro-3-[(Z)-hex-2-enyl]-2-[[4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol;yttrium?
The IUPAC name of (1R,2S,3R,4R)-4-chloro-3-[(Z)-hex-2-enyl]-2-[[4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol;yttrium (CID 58378700) is (1R,2S,3R,4R)-4-chloro-3-[(Z)-hex-2-enyl]-2-[[4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol;yttrium.
What is the SMILES notation for (1R,2S,3R,4R)-4-chloro-3-[(Z)-hex-2-enyl]-2-[[4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol;yttrium?
The canonical SMILES for (1R,2S,3R,4R)-4-chloro-3-[(Z)-hex-2-enyl]-2-[[4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol;yttrium is [CH2-]CC/C=C\C[C@@H]1[C@@H](COc2ccc(C(C)O)cc2)[C@H](O)C[C@H]1Cl.[Y].
What is the InChIKey of (1R,2S,3R,4R)-4-chloro-3-[(Z)-hex-2-enyl]-2-[[4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol;yttrium?
The InChIKey is PYLKZFVZFHZUKC-MVYZGTTHSA-N. The full InChI is InChI=1S/C20H28ClO3.Y/c1-3-4-5-6-7-17-18(20(23)12-19(17)21)13-24-16-10-8-15(9-11-16)14(2)22;/h5-6,8-11,14,17-20,22-23H,1,3-4,7,12-13H2,2H3;/q-1;/b6-5-;/t14?,17-,18-,19-,20-;/m1./s1.
What are the key properties of (1R,2S,3R,4R)-4-chloro-3-[(Z)-hex-2-enyl]-2-[[4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol;yttrium?
(1R,2S,3R,4R)-4-chloro-3-[(Z)-hex-2-enyl]-2-[[4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol;yttrium has a molecular weight of 440.80 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4R)-4-chloro-3-[(Z)-hex-2-enyl]-2-[[4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol;yttrium is sourced from PubChem (CID 58378700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).