2-[6-(3-hydroxyphenyl)cyclohexen-1-yl]acetonitrile

C14H15NO — CID 170752350

IUPAC2-[6-(3-hydroxyphenyl)cyclohexen-1-yl]acetonitrile
SMILESN#CCC1=CCCCC1c1cccc(O)c1
InChIInChI=1S/C14H15NO/c15-9-8-11-4-1-2-7-14(11)12-5-3-6-13(16)10-12/h3-6,10,14,16H,1-2,7-8H2
InChIKeyPQIJIUUDSKBEET-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.50
Rot. Bonds2

About 2-[6-(3-hydroxyphenyl)cyclohexen-1-yl]acetonitrile

2-[6-(3-hydroxyphenyl)cyclohexen-1-yl]acetonitrile (PubChem CID 170752350) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[6-(3-hydroxyphenyl)cyclohexen-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-(3-hydroxyphenyl)cyclohexen-1-yl]acetonitrile
PubChem CID170752350
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2-[6-(3-hydroxyphenyl)cyclohexen-1-yl]acetonitrile
SMILESN#CCC1=CCCCC1c1cccc(O)c1
InChIInChI=1S/C14H15NO/c15-9-8-11-4-1-2-7-14(11)12-5-3-6-13(16)10-12/h3-6,10,14,16H,1-2,7-8H2
InChIKeyPQIJIUUDSKBEET-UHFFFAOYSA-N
XLogP3.50
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-pyridin-4-ylcyclohexen-1-yl)acetonitrile
CID 23253530
3-(3-hydroxyphenyl)-1-propylpiperidin-2-one
CID 13070741
3-cyclohexylphenol
CID 16036
6-(3-hydroxyphenyl)piperidine-2-carbonitrile
CID 117168197
(3S)-3-(3-hydroxyphenyl)-1-methylazepan-2-one
CID 86314765
3-[(1S,2R)-2-hydroxycyclohexyl]phenol
CID 54021474
3-[(cyclobutylamino)methyl]phenol
CID 62416890
4b,5,6,7-tetrahydrobiphenylen-2-ol
CID 71325377
3-(4-aminocycloheptyl)phenol
CID 115024223
3-cyclopent-2-en-1-ylphenol
CID 15504268
3-pyrrolidin-3-ylphenol
CID 12937992
3-[4-(4-hydroxyphenyl)cyclohexyl]phenol
CID 167227782

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-hydroxyphenyl)cyclohexen-1-yl]acetonitrile?
The IUPAC name of 2-[6-(3-hydroxyphenyl)cyclohexen-1-yl]acetonitrile (CID 170752350) is 2-[6-(3-hydroxyphenyl)cyclohexen-1-yl]acetonitrile.
What is the SMILES notation for 2-[6-(3-hydroxyphenyl)cyclohexen-1-yl]acetonitrile?
The canonical SMILES for 2-[6-(3-hydroxyphenyl)cyclohexen-1-yl]acetonitrile is N#CCC1=CCCCC1c1cccc(O)c1.
What is the InChIKey of 2-[6-(3-hydroxyphenyl)cyclohexen-1-yl]acetonitrile?
The InChIKey is PQIJIUUDSKBEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c15-9-8-11-4-1-2-7-14(11)12-5-3-6-13(16)10-12/h3-6,10,14,16H,1-2,7-8H2.
What are the key properties of 2-[6-(3-hydroxyphenyl)cyclohexen-1-yl]acetonitrile?
2-[6-(3-hydroxyphenyl)cyclohexen-1-yl]acetonitrile has a molecular weight of 213.28 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-hydroxyphenyl)cyclohexen-1-yl]acetonitrile is sourced from PubChem (CID 170752350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).