[3-[2-butyl-5-(hydroxyiminomethyl)cyclopenten-1-yl]phenyl]methanol

C17H23NO2 — CID 174528362

IUPAC[3-[2-butyl-5-(hydroxyiminomethyl)cyclopenten-1-yl]phenyl]methanol
SMILESCCCCC1=C(c2cccc(CO)c2)C(C=NO)CC1
InChIInChI=1S/C17H23NO2/c1-2-3-6-14-8-9-16(11-18-20)17(14)15-7-4-5-13(10-15)12-19/h4-5,7,10-11,16,19-20H,2-3,6,8-9,12H2,1H3
InChIKeyDENYVUCOKPMKDF-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.99
Rot. Bonds6

About [3-[2-butyl-5-(hydroxyiminomethyl)cyclopenten-1-yl]phenyl]methanol

[3-[2-butyl-5-(hydroxyiminomethyl)cyclopenten-1-yl]phenyl]methanol (PubChem CID 174528362) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is [3-[2-butyl-5-(hydroxyiminomethyl)cyclopenten-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[2-butyl-5-(hydroxyiminomethyl)cyclopenten-1-yl]phenyl]methanol
PubChem CID174528362
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name[3-[2-butyl-5-(hydroxyiminomethyl)cyclopenten-1-yl]phenyl]methanol
SMILESCCCCC1=C(c2cccc(CO)c2)C(C=NO)CC1
InChIInChI=1S/C17H23NO2/c1-2-3-6-14-8-9-16(11-18-20)17(14)15-7-4-5-13(10-15)12-19/h4-5,7,10-11,16,19-20H,2-3,6,8-9,12H2,1H3
InChIKeyDENYVUCOKPMKDF-UHFFFAOYSA-N
XLogP3.99
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-butyl-2-[3-(hydroxymethyl)phenyl]cyclopent-2-en-1-one
CID 66879208
N-[2-[3-(2-butyl-5-hydroxyiminocyclopenten-1-yl)phenyl]ethylidene]hydroxylamine
CID 141142376
[3-(4-propylphenyl)phenyl]methanol
CID 1393732
3-butyl-2-[3-(nitrosomethyl)phenyl]cyclopent-2-en-1-one
CID 91597941
(5-nitroso-2-pentylcyclopenten-1-yl)benzene
CID 91529642
N-[2-(3-aminophenyl)-3-butylcyclopent-2-en-1-ylidene]hydroxylamine
CID 73030610
4-(3-butylphenyl)-2,6-dimethylphenol
CID 157070879
1-butyl-3-(4-pentylphenyl)benzene
CID 123269594
[3-[(E)-oct-1-enyl]phenyl]methanol
CID 11298937
[3-(2-butoxyethoxy)phenyl]methanol
CID 61483192
1-[3-(4-butylphenyl)phenyl]ethanone
CID 11334246
[3-(1,3-benzodioxol-5-yl)phenyl]methanol
CID 118042431

Frequently Asked Questions

What is the IUPAC name of [3-[2-butyl-5-(hydroxyiminomethyl)cyclopenten-1-yl]phenyl]methanol?
The IUPAC name of [3-[2-butyl-5-(hydroxyiminomethyl)cyclopenten-1-yl]phenyl]methanol (CID 174528362) is [3-[2-butyl-5-(hydroxyiminomethyl)cyclopenten-1-yl]phenyl]methanol.
What is the SMILES notation for [3-[2-butyl-5-(hydroxyiminomethyl)cyclopenten-1-yl]phenyl]methanol?
The canonical SMILES for [3-[2-butyl-5-(hydroxyiminomethyl)cyclopenten-1-yl]phenyl]methanol is CCCCC1=C(c2cccc(CO)c2)C(C=NO)CC1.
What is the InChIKey of [3-[2-butyl-5-(hydroxyiminomethyl)cyclopenten-1-yl]phenyl]methanol?
The InChIKey is DENYVUCOKPMKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-3-6-14-8-9-16(11-18-20)17(14)15-7-4-5-13(10-15)12-19/h4-5,7,10-11,16,19-20H,2-3,6,8-9,12H2,1H3.
What are the key properties of [3-[2-butyl-5-(hydroxyiminomethyl)cyclopenten-1-yl]phenyl]methanol?
[3-[2-butyl-5-(hydroxyiminomethyl)cyclopenten-1-yl]phenyl]methanol has a molecular weight of 273.38 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-butyl-5-(hydroxyiminomethyl)cyclopenten-1-yl]phenyl]methanol is sourced from PubChem (CID 174528362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).