1-[(4-ethoxyphenyl)-hydroxymethyl]cyclopentane-1-carbonitrile

C15H19NO2 — CID 79130086

IUPAC1-[(4-ethoxyphenyl)-hydroxymethyl]cyclopentane-1-carbonitrile
SMILESCCOc1ccc(C(O)C2(C#N)CCCC2)cc1
InChIInChI=1S/C15H19NO2/c1-2-18-13-7-5-12(6-8-13)14(17)15(11-16)9-3-4-10-15/h5-8,14,17H,2-4,9-10H2,1H3
InChIKeyKEOHOOYAMQRINU-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.20
Rot. Bonds4

About 1-[(4-ethoxyphenyl)-hydroxymethyl]cyclopentane-1-carbonitrile

1-[(4-ethoxyphenyl)-hydroxymethyl]cyclopentane-1-carbonitrile (PubChem CID 79130086) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)-hydroxymethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)-hydroxymethyl]cyclopentane-1-carbonitrile
PubChem CID79130086
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-[(4-ethoxyphenyl)-hydroxymethyl]cyclopentane-1-carbonitrile
SMILESCCOc1ccc(C(O)C2(C#N)CCCC2)cc1
InChIInChI=1S/C15H19NO2/c1-2-18-13-7-5-12(6-8-13)14(17)15(11-16)9-3-4-10-15/h5-8,14,17H,2-4,9-10H2,1H3
InChIKeyKEOHOOYAMQRINU-UHFFFAOYSA-N
XLogP3.20
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethoxyphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958660
1-[hydroxy-(4-propoxyphenyl)methyl]-3-methylcyclohexane-1-carbonitrile
CID 79124023
1-[hydroxy-(4-propan-2-ylphenyl)methyl]cycloheptane-1-carbonitrile
CID 79136509
1-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carbonitrile
CID 79136457
1-[(4-bromophenyl)-hydroxymethyl]cyclohexane-1-carbonitrile
CID 79136566
1-[hydroxy-(3-propoxyphenyl)methyl]cycloheptane-1-carbonitrile
CID 79124056
1-[hydroxy-(4-methoxyphenyl)methyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 79131144
1-[hydroxy-(4-methoxyphenyl)methyl]-3-methylcyclohexane-1-carbonitrile
CID 79130229
1-[hydroxy-(6-methyl-3-pyridinyl)methyl]cycloheptane-1-carbonitrile
CID 104823982
1-[hydroxy-(4-methoxyphenyl)methyl]-4-methylcyclohexane-1-carbonitrile
CID 79129101
2-[(4-ethoxyphenyl)-hydroxymethyl]-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CID 79130391
1-[(2-ethylphenyl)-hydroxymethyl]cyclooctane-1-carbonitrile
CID 80603181

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)-hydroxymethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[(4-ethoxyphenyl)-hydroxymethyl]cyclopentane-1-carbonitrile (CID 79130086) is 1-[(4-ethoxyphenyl)-hydroxymethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[(4-ethoxyphenyl)-hydroxymethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[(4-ethoxyphenyl)-hydroxymethyl]cyclopentane-1-carbonitrile is CCOc1ccc(C(O)C2(C#N)CCCC2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)-hydroxymethyl]cyclopentane-1-carbonitrile?
The InChIKey is KEOHOOYAMQRINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-18-13-7-5-12(6-8-13)14(17)15(11-16)9-3-4-10-15/h5-8,14,17H,2-4,9-10H2,1H3.
What are the key properties of 1-[(4-ethoxyphenyl)-hydroxymethyl]cyclopentane-1-carbonitrile?
1-[(4-ethoxyphenyl)-hydroxymethyl]cyclopentane-1-carbonitrile has a molecular weight of 245.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)-hydroxymethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79130086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).