(Z)-7-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-(naphthalen-1-ylmethoxy)cyclopentyl]hept-5-enoic acid

C23H27ClO4 — CID 23643049

IUPAC(Z)-7-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-(naphthalen-1-ylmethoxy)cyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\C[C@@H]1[C@@H](OCc2cccc3ccccc23)[C@H](O)C[C@H]1Cl
InChIInChI=1S/C23H27ClO4/c24-20-14-21(25)23(19(20)12-3-1-2-4-13-22(26)27)28-15-17-10-7-9-16-8-5-6-11-18(16)17/h1,3,5-11,19-21,23,25H,2,4,12-15H2,(H,26,27)/b3-1-/t19-,20+,21+,23+/m0/s1
InChIKeyQDLAWIRKYZKPKK-GUJNNPPKSA-N
MW402.92 g/mol
LogP4.91
Rot. Bonds9

About (Z)-7-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-(naphthalen-1-ylmethoxy)cyclopentyl]hept-5-enoic acid

(Z)-7-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-(naphthalen-1-ylmethoxy)cyclopentyl]hept-5-enoic acid (PubChem CID 23643049) has the molecular formula C23H27ClO4 and a molecular weight of 402.92 g/mol. Its IUPAC name is (Z)-7-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-(naphthalen-1-ylmethoxy)cyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-(naphthalen-1-ylmethoxy)cyclopentyl]hept-5-enoic acid
PubChem CID23643049
Molecular FormulaC23H27ClO4
Molecular Weight402.92 g/mol
Exact Mass402.16
IUPAC Name(Z)-7-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-(naphthalen-1-ylmethoxy)cyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\C[C@@H]1[C@@H](OCc2cccc3ccccc23)[C@H](O)C[C@H]1Cl
InChIInChI=1S/C23H27ClO4/c24-20-14-21(25)23(19(20)12-3-1-2-4-13-22(26)27)28-15-17-10-7-9-16-8-5-6-11-18(16)17/h1,3,5-11,19-21,23,25H,2,4,12-15H2,(H,26,27)/b3-1-/t19-,20+,21+,23+/m0/s1
InChIKeyQDLAWIRKYZKPKK-GUJNNPPKSA-N
XLogP4.91
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-7-[(1R,2S,3R)-5-chloro-2-[(4-chloronaphthalen-1-yl)oxymethyl]-3-hydroxycyclopentyl]hept-5-enoic acid
CID 67529087
7-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[[2-(2-hydroxyethyl)phenoxy]methyl]cyclopentyl]hept-5-enoic acid
CID 67527448
(Z)-7-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[(3-hydroxyphenoxy)methyl]cyclopentyl]hept-5-enoic acid
CID 24983623
7-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]cyclopentyl]hept-5-enoic acid
CID 67527965
7-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[[3-(hydroxymethyl)phenoxy]methyl]cyclopentyl]hept-5-enoic acid
CID 67527463
(Z)-7-[(1R,2S,3R,5S)-5-chloro-2-[(3,5-dimethylphenoxy)methyl]-3-hydroxycyclopentyl]hept-5-enoic acid
CID 67527560
(E)-7-[(5S)-5-(naphthalen-1-ylmethoxymethyl)-4-phenylcyclopenten-1-yl]hept-5-enoic acid
CID 67797369
(Z)-7-[(1R,2S,3R,5S)-5-chloro-3-hydroxy-2-[[3-(2-hydroxyethyl)phenoxy]methyl]cyclopentyl]hept-5-enoic acid
CID 67527064
(Z)-7-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[[3-(1-hydroxy-2-methylpropyl)phenoxy]methyl]cyclopentyl]hept-5-enoic acid
CID 24996124
(Z)-7-[(1R,2R,3R,5R)-5-chloro-2-[2-(4-chloro-3,5-dimethylphenyl)ethyl]-3-hydroxycyclopentyl]hept-5-enoic acid
CID 89075986
(E)-7-[3,5-dihydroxy-2-(phenylcarbamoyloxymethyl)cyclopentyl]hept-5-enoic acid
CID 22613240
7-[(1S,2S,3R,4R)-3-phenoxy-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 54249380

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-(naphthalen-1-ylmethoxy)cyclopentyl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-(naphthalen-1-ylmethoxy)cyclopentyl]hept-5-enoic acid (CID 23643049) is (Z)-7-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-(naphthalen-1-ylmethoxy)cyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-(naphthalen-1-ylmethoxy)cyclopentyl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-(naphthalen-1-ylmethoxy)cyclopentyl]hept-5-enoic acid is O=C(O)CCC/C=C\C[C@@H]1[C@@H](OCc2cccc3ccccc23)[C@H](O)C[C@H]1Cl.
What is the InChIKey of (Z)-7-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-(naphthalen-1-ylmethoxy)cyclopentyl]hept-5-enoic acid?
The InChIKey is QDLAWIRKYZKPKK-GUJNNPPKSA-N. The full InChI is InChI=1S/C23H27ClO4/c24-20-14-21(25)23(19(20)12-3-1-2-4-13-22(26)27)28-15-17-10-7-9-16-8-5-6-11-18(16)17/h1,3,5-11,19-21,23,25H,2,4,12-15H2,(H,26,27)/b3-1-/t19-,20+,21+,23+/m0/s1.
What are the key properties of (Z)-7-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-(naphthalen-1-ylmethoxy)cyclopentyl]hept-5-enoic acid?
(Z)-7-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-(naphthalen-1-ylmethoxy)cyclopentyl]hept-5-enoic acid has a molecular weight of 402.92 g/mol, XLogP of 4.91, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-(naphthalen-1-ylmethoxy)cyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 23643049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).