1-[(4-hydroxyphenyl)methyl]cyclooctane-1-carbonitrile

C16H21NO — CID 80602331

IUPAC1-[(4-hydroxyphenyl)methyl]cyclooctane-1-carbonitrile
SMILESN#CC1(Cc2ccc(O)cc2)CCCCCCC1
InChIInChI=1S/C16H21NO/c17-13-16(10-4-2-1-3-5-11-16)12-14-6-8-15(18)9-7-14/h6-9,18H,1-5,10-12H2
InChIKeyLEZRNTSRLWHFCK-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.19
Rot. Bonds2

About 1-[(4-hydroxyphenyl)methyl]cyclooctane-1-carbonitrile

1-[(4-hydroxyphenyl)methyl]cyclooctane-1-carbonitrile (PubChem CID 80602331) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methyl]cyclooctane-1-carbonitrile.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methyl]cyclooctane-1-carbonitrile
PubChem CID80602331
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-[(4-hydroxyphenyl)methyl]cyclooctane-1-carbonitrile
SMILESN#CC1(Cc2ccc(O)cc2)CCCCCCC1
InChIInChI=1S/C16H21NO/c17-13-16(10-4-2-1-3-5-11-16)12-14-6-8-15(18)9-7-14/h6-9,18H,1-5,10-12H2
InChIKeyLEZRNTSRLWHFCK-UHFFFAOYSA-N
XLogP4.19
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(4-hydroxyphenyl)methyl]cyclooctane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-Pentylphenol
CID 6643
4-Nonylphenol
CID 1752
4-Tert-octylphenol
CID 8814
4-n-Octylphenol
CID 15730
(+)-Bakuchiol
CID 5468522
2,3-bis(4-Hydroxyphenyl)propionitrile
CID 102614
4-Dodecylphenol
CID 66030
4-Hydroxybenzyl cyanide
CID 26548
Tyrphostin 9
CID 5614
4-Cyanophenol
CID 13019
4-Hydroxybenzylidenemalononitrile
CID 92970
4-Nonylphenol, branched
CID 338733

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)methyl]cyclooctane-1-carbonitrile?
The IUPAC name of 1-[(4-hydroxyphenyl)methyl]cyclooctane-1-carbonitrile (CID 80602331) is 1-[(4-hydroxyphenyl)methyl]cyclooctane-1-carbonitrile.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methyl]cyclooctane-1-carbonitrile?
The canonical SMILES for 1-[(4-hydroxyphenyl)methyl]cyclooctane-1-carbonitrile is N#CC1(Cc2ccc(O)cc2)CCCCCCC1.
What is the InChIKey of 1-[(4-hydroxyphenyl)methyl]cyclooctane-1-carbonitrile?
The InChIKey is LEZRNTSRLWHFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c17-13-16(10-4-2-1-3-5-11-16)12-14-6-8-15(18)9-7-14/h6-9,18H,1-5,10-12H2.
What are the key properties of 1-[(4-hydroxyphenyl)methyl]cyclooctane-1-carbonitrile?
1-[(4-hydroxyphenyl)methyl]cyclooctane-1-carbonitrile has a molecular weight of 243.35 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyphenyl)methyl]cyclooctane-1-carbonitrile is sourced from PubChem (CID 80602331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).