4-chloro-2-(2-hydroxycycloheptyl)oxybenzonitrile

C14H16ClNO2 — CID 113277283

IUPAC4-chloro-2-(2-hydroxycycloheptyl)oxybenzonitrile
SMILESN#Cc1ccc(Cl)cc1OC1CCCCCC1O
InChIInChI=1S/C14H16ClNO2/c15-11-7-6-10(9-16)14(8-11)18-13-5-3-1-2-4-12(13)17/h6-8,12-13,17H,1-5H2
InChIKeyYRHVRBVATRVAJN-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.28
Rot. Bonds2

About 4-chloro-2-(2-hydroxycycloheptyl)oxybenzonitrile

4-chloro-2-(2-hydroxycycloheptyl)oxybenzonitrile (PubChem CID 113277283) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 4-chloro-2-(2-hydroxycycloheptyl)oxybenzonitrile.

Molecular Properties

Compound Name4-chloro-2-(2-hydroxycycloheptyl)oxybenzonitrile
PubChem CID113277283
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name4-chloro-2-(2-hydroxycycloheptyl)oxybenzonitrile
SMILESN#Cc1ccc(Cl)cc1OC1CCCCCC1O
InChIInChI=1S/C14H16ClNO2/c15-11-7-6-10(9-16)14(8-11)18-13-5-3-1-2-4-12(13)17/h6-8,12-13,17H,1-5H2
InChIKeyYRHVRBVATRVAJN-UHFFFAOYSA-N
XLogP3.28
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(2-hydroxycyclohexyl)oxybenzonitrile
CID 113277308
2-[(1S,2S)-2-hydroxycyclohexyl]oxybenzonitrile
CID 102732456
5-bromo-2-(2-hydroxycycloheptyl)oxybenzonitrile
CID 83145004
2-(2,4-dichlorophenoxy)cyclohexan-1-ol
CID 60728407
trans-(1S,2S)-2-(5-chloro-2-methylphenoxy)cyclopentan-1-ol
CID 102735536
5-chloro-2-(2-hydroxycyclohexyl)oxybenzaldehyde
CID 60884420
2-(2,4,5-trichlorophenoxy)cyclohexan-1-ol
CID 60728681
2-(2,5-difluorophenoxy)cyclohexan-1-ol
CID 63269274
trans-(1R,2R)-2-(2,5-difluorophenoxy)cyclohexan-1-ol
CID 102732616
2-(3-chlorophenoxy)cyclohexan-1-ol
CID 60880666
4-[(1S,2S)-2-hydroxycyclohexyl]oxybenzonitrile
CID 102732523
trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol
CID 139056269

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-hydroxycycloheptyl)oxybenzonitrile?
The IUPAC name of 4-chloro-2-(2-hydroxycycloheptyl)oxybenzonitrile (CID 113277283) is 4-chloro-2-(2-hydroxycycloheptyl)oxybenzonitrile.
What is the SMILES notation for 4-chloro-2-(2-hydroxycycloheptyl)oxybenzonitrile?
The canonical SMILES for 4-chloro-2-(2-hydroxycycloheptyl)oxybenzonitrile is N#Cc1ccc(Cl)cc1OC1CCCCCC1O.
What is the InChIKey of 4-chloro-2-(2-hydroxycycloheptyl)oxybenzonitrile?
The InChIKey is YRHVRBVATRVAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c15-11-7-6-10(9-16)14(8-11)18-13-5-3-1-2-4-12(13)17/h6-8,12-13,17H,1-5H2.
What are the key properties of 4-chloro-2-(2-hydroxycycloheptyl)oxybenzonitrile?
4-chloro-2-(2-hydroxycycloheptyl)oxybenzonitrile has a molecular weight of 265.74 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-hydroxycycloheptyl)oxybenzonitrile is sourced from PubChem (CID 113277283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).