2-[1-[2-hydroxy-2-(4-iodophenyl)ethyl]cyclopentyl]acetic acid

C15H19IO3 — CID 61069302

IUPAC2-[1-[2-hydroxy-2-(4-iodophenyl)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(O)c2ccc(I)cc2)CCCC1
InChIInChI=1S/C15H19IO3/c16-12-5-3-11(4-6-12)13(17)9-15(10-14(18)19)7-1-2-8-15/h3-6,13,17H,1-2,7-10H2,(H,18,19)
InChIKeyPHCVSXCUNHNPBV-UHFFFAOYSA-N
MW374.22 g/mol
LogP3.75
Rot. Bonds5

About 2-[1-[2-hydroxy-2-(4-iodophenyl)ethyl]cyclopentyl]acetic acid

2-[1-[2-hydroxy-2-(4-iodophenyl)ethyl]cyclopentyl]acetic acid (PubChem CID 61069302) has the molecular formula C15H19IO3 and a molecular weight of 374.22 g/mol. Its IUPAC name is 2-[1-[2-hydroxy-2-(4-iodophenyl)ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-hydroxy-2-(4-iodophenyl)ethyl]cyclopentyl]acetic acid
PubChem CID61069302
Molecular FormulaC15H19IO3
Molecular Weight374.22 g/mol
Exact Mass374.04
IUPAC Name2-[1-[2-hydroxy-2-(4-iodophenyl)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(O)c2ccc(I)cc2)CCCC1
InChIInChI=1S/C15H19IO3/c16-12-5-3-11(4-6-12)13(17)9-15(10-14(18)19)7-1-2-8-15/h3-6,13,17H,1-2,7-10H2,(H,18,19)
InChIKeyPHCVSXCUNHNPBV-UHFFFAOYSA-N
XLogP3.75
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclohexyl]acetic acid
CID 61270248
(2S)-2-amino-3-(4-iodophenyl)propanoic acid;2-[1-(aminomethyl)cyclohexyl]acetic acid
CID 68535655
2-[1-[2-(3,4-dibromothiophen-2-yl)-2-hydroxyethyl]cyclohexyl]acetic acid
CID 79601307
2-[1-[2-(4-bromo-5-methylthiophen-2-yl)-2-hydroxyethyl]cyclopentyl]acetic acid
CID 102828999
2-[1-[2-(5-bromo-4-methylthiophen-2-yl)-2-hydroxyethyl]cyclohexyl]acetic acid
CID 79992425
2-[1-[2-(4-bromo-5-chloro-2-fluorophenyl)-2-hydroxyethyl]cyclopentyl]acetic acid
CID 105399247
2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid
CID 64672187
2-[1-[(2-hydroxy-2-phenylethyl)sulfanylmethyl]cyclopropyl]acetic acid
CID 65441496
1-(4-iodophenyl)-2-nitroethanol
CID 101345465
2-[1-[2-amino-2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid
CID 55006968
2-[1-[(4-iodophenyl)sulfonylamino]cyclohexyl]acetic acid
CID 64700171
sodium 2-[1-(hydroxymethyl)cyclohexyl]acetic acid
CID 162368007

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-hydroxy-2-(4-iodophenyl)ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-hydroxy-2-(4-iodophenyl)ethyl]cyclopentyl]acetic acid (CID 61069302) is 2-[1-[2-hydroxy-2-(4-iodophenyl)ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-hydroxy-2-(4-iodophenyl)ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-hydroxy-2-(4-iodophenyl)ethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(O)c2ccc(I)cc2)CCCC1.
What is the InChIKey of 2-[1-[2-hydroxy-2-(4-iodophenyl)ethyl]cyclopentyl]acetic acid?
The InChIKey is PHCVSXCUNHNPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IO3/c16-12-5-3-11(4-6-12)13(17)9-15(10-14(18)19)7-1-2-8-15/h3-6,13,17H,1-2,7-10H2,(H,18,19).
What are the key properties of 2-[1-[2-hydroxy-2-(4-iodophenyl)ethyl]cyclopentyl]acetic acid?
2-[1-[2-hydroxy-2-(4-iodophenyl)ethyl]cyclopentyl]acetic acid has a molecular weight of 374.22 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-hydroxy-2-(4-iodophenyl)ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61069302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).