benzene;4-hydroxycyclohexane-1-carbonitrile

C13H17NO — CID 143916958

IUPACbenzene;4-hydroxycyclohexane-1-carbonitrile
SMILESN#CC1CCC(O)CC1.c1ccccc1
InChIInChI=1S/C7H11NO.C6H6/c8-5-6-1-3-7(9)4-2-6;1-2-4-6-5-3-1/h6-7,9H,1-4H2;1-6H
InChIKeyGMZIPLXVRGWVEA-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.75
Rot. Bonds

About benzene;4-hydroxycyclohexane-1-carbonitrile

benzene;4-hydroxycyclohexane-1-carbonitrile (PubChem CID 143916958) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is benzene;4-hydroxycyclohexane-1-carbonitrile.

Molecular Properties

Compound Namebenzene;4-hydroxycyclohexane-1-carbonitrile
PubChem CID143916958
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Namebenzene;4-hydroxycyclohexane-1-carbonitrile
SMILESN#CC1CCC(O)CC1.c1ccccc1
InChIInChI=1S/C7H11NO.C6H6/c8-5-6-1-3-7(9)4-2-6;1-2-4-6-5-3-1/h6-7,9H,1-4H2;1-6H
InChIKeyGMZIPLXVRGWVEA-UHFFFAOYSA-N
XLogP2.75
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyanocyclohexyl) 4-hydroxycyclohexane-1-carboxylate
CID 90054944
4-cyanocyclohexane-1-carboxylic acid;hydrochloride
CID 70378009
cyclopropanecarbonitrile;2,2,2-trifluoroacetic acid
CID 172679647
cyclohexane-1,4-diol
CID 11162
CID 153149289
CID 153149289
3-hydroxycyclohexane-1-carbonitrile
CID 22743809
cis-(1R,3S)-3-hydroxycyclohexane-1-carbonitrile
CID 69057748
cyclooctanecarbonitrile
CID 13075060
cyclopropanecarbonitrile;sulfonylazanide
CID 170991615
CID 87631998
CID 87631998
N-(4-cyanocyclohexyl)-2-phenylacetamide
CID 115270171
4-cyanocyclohexane-1-carbonyl chloride
CID 12653192

Frequently Asked Questions

What is the IUPAC name of benzene;4-hydroxycyclohexane-1-carbonitrile?
The IUPAC name of benzene;4-hydroxycyclohexane-1-carbonitrile (CID 143916958) is benzene;4-hydroxycyclohexane-1-carbonitrile.
What is the SMILES notation for benzene;4-hydroxycyclohexane-1-carbonitrile?
The canonical SMILES for benzene;4-hydroxycyclohexane-1-carbonitrile is N#CC1CCC(O)CC1.c1ccccc1.
What is the InChIKey of benzene;4-hydroxycyclohexane-1-carbonitrile?
The InChIKey is GMZIPLXVRGWVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.C6H6/c8-5-6-1-3-7(9)4-2-6;1-2-4-6-5-3-1/h6-7,9H,1-4H2;1-6H.
What are the key properties of benzene;4-hydroxycyclohexane-1-carbonitrile?
benzene;4-hydroxycyclohexane-1-carbonitrile has a molecular weight of 203.29 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;4-hydroxycyclohexane-1-carbonitrile is sourced from PubChem (CID 143916958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).