(1R)-1-cyclopentyl-2-(4-isocyanophenyl)ethanol

C14H17NO — CID 167600093

IUPAC(1R)-1-cyclopentyl-2-(4-isocyanophenyl)ethanol
SMILES[C-]#[N+]c1ccc(C[C@@H](O)C2CCCC2)cc1
InChIInChI=1S/C14H17NO/c1-15-13-8-6-11(7-9-13)10-14(16)12-4-2-3-5-12/h6-9,12,14,16H,2-5,10H2/t14-/m1/s1
InChIKeyJPIVGPXVOGVUOF-CQSZACIVSA-N
MW215.30 g/mol
LogP3.33
Rot. Bonds3

About (1R)-1-cyclopentyl-2-(4-isocyanophenyl)ethanol

(1R)-1-cyclopentyl-2-(4-isocyanophenyl)ethanol (PubChem CID 167600093) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (1R)-1-cyclopentyl-2-(4-isocyanophenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-cyclopentyl-2-(4-isocyanophenyl)ethanol
PubChem CID167600093
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(1R)-1-cyclopentyl-2-(4-isocyanophenyl)ethanol
SMILES[C-]#[N+]c1ccc(C[C@@H](O)C2CCCC2)cc1
InChIInChI=1S/C14H17NO/c1-15-13-8-6-11(7-9-13)10-14(16)12-4-2-3-5-12/h6-9,12,14,16H,2-5,10H2/t14-/m1/s1
InChIKeyJPIVGPXVOGVUOF-CQSZACIVSA-N
XLogP3.33
TPSA24.59 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299
(1R)-1-cyclopentyl-2-(4-phenylphenyl)ethanol
CID 167627883
1-cyclobutyl-2-(4-ethylphenyl)ethanol
CID 64986891
1-cyclohexyl-2-(4-propan-2-ylphenyl)ethanol
CID 63410841
1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 62607269
1-cyclohexyl-2-pyridin-4-ylethanol
CID 62552593
(1R)-1-cyclopropyl-2-(4-methylphenyl)ethanol
CID 39236667
2-(4-tert-butylphenyl)-1-cyclopropylethanol
CID 62608769
1-cyclopropyl-2-pyridin-4-ylethanol
CID 63352817
2-(3-bromophenyl)-1-cycloheptylethanol
CID 63519836
2-(3-chlorophenyl)-1-cycloheptylethanol
CID 63518276
1-cyclohexyl-2-(3-methylphenyl)ethanol
CID 60798994

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopentyl-2-(4-isocyanophenyl)ethanol?
The IUPAC name of (1R)-1-cyclopentyl-2-(4-isocyanophenyl)ethanol (CID 167600093) is (1R)-1-cyclopentyl-2-(4-isocyanophenyl)ethanol.
What is the SMILES notation for (1R)-1-cyclopentyl-2-(4-isocyanophenyl)ethanol?
The canonical SMILES for (1R)-1-cyclopentyl-2-(4-isocyanophenyl)ethanol is [C-]#[N+]c1ccc(C[C@@H](O)C2CCCC2)cc1.
What is the InChIKey of (1R)-1-cyclopentyl-2-(4-isocyanophenyl)ethanol?
The InChIKey is JPIVGPXVOGVUOF-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17NO/c1-15-13-8-6-11(7-9-13)10-14(16)12-4-2-3-5-12/h6-9,12,14,16H,2-5,10H2/t14-/m1/s1.
What are the key properties of (1R)-1-cyclopentyl-2-(4-isocyanophenyl)ethanol?
(1R)-1-cyclopentyl-2-(4-isocyanophenyl)ethanol has a molecular weight of 215.30 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopentyl-2-(4-isocyanophenyl)ethanol is sourced from PubChem (CID 167600093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).