4-chloro-2-[5-(cyclohexylmethoxy)-3-pyridinyl]phenol

C18H20ClNO2 — CID 131970987

IUPAC4-chloro-2-[5-(cyclohexylmethoxy)-3-pyridinyl]phenol
SMILESOc1ccc(Cl)cc1-c1cncc(OCC2CCCCC2)c1
InChIInChI=1S/C18H20ClNO2/c19-15-6-7-18(21)17(9-15)14-8-16(11-20-10-14)22-12-13-4-2-1-3-5-13/h6-11,13,21H,1-5,12H2
InChIKeyWCBVZZGZPMHMIA-UHFFFAOYSA-N
MW317.82 g/mol
LogP5.07
Rot. Bonds4

About 4-chloro-2-[5-(cyclohexylmethoxy)-3-pyridinyl]phenol

4-chloro-2-[5-(cyclohexylmethoxy)-3-pyridinyl]phenol (PubChem CID 131970987) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 4-chloro-2-[5-(cyclohexylmethoxy)-3-pyridinyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[5-(cyclohexylmethoxy)-3-pyridinyl]phenol
PubChem CID131970987
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name4-chloro-2-[5-(cyclohexylmethoxy)-3-pyridinyl]phenol
SMILESOc1ccc(Cl)cc1-c1cncc(OCC2CCCCC2)c1
InChIInChI=1S/C18H20ClNO2/c19-15-6-7-18(21)17(9-15)14-8-16(11-20-10-14)22-12-13-4-2-1-3-5-13/h6-11,13,21H,1-5,12H2
InChIKeyWCBVZZGZPMHMIA-UHFFFAOYSA-N
XLogP5.07
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.82
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethoxy-3-pyridinyl)-4-methylphenol
CID 83131203
3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
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1-bromo-3-chloro-5-(cyclohexylmethoxy)benzene
CID 138985972
4-chloro-2-[(cyclohexylmethylamino)methyl]phenol
CID 25163929
4-chloro-2-(cyclohexylmethoxy)benzoic acid
CID 61379401
5-(cyclopropylmethoxy)pyridine-3-sulfonamide
CID 175287072
2,5-dichloro-4-(5-propoxy-3-pyridinyl)phenol
CID 107663404
[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine
CID 43141776
[3-chloro-5-(cyclopentylmethoxy)phenyl]methanol
CID 138485153
3-bromo-5-chloro-2-(cyclopentylmethoxy)pyridine
CID 114837797
cyclohexylmethoxybenzene
CID 14399287
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[5-(cyclohexylmethoxy)-3-pyridinyl]phenol?
The IUPAC name of 4-chloro-2-[5-(cyclohexylmethoxy)-3-pyridinyl]phenol (CID 131970987) is 4-chloro-2-[5-(cyclohexylmethoxy)-3-pyridinyl]phenol.
What is the SMILES notation for 4-chloro-2-[5-(cyclohexylmethoxy)-3-pyridinyl]phenol?
The canonical SMILES for 4-chloro-2-[5-(cyclohexylmethoxy)-3-pyridinyl]phenol is Oc1ccc(Cl)cc1-c1cncc(OCC2CCCCC2)c1.
What is the InChIKey of 4-chloro-2-[5-(cyclohexylmethoxy)-3-pyridinyl]phenol?
The InChIKey is WCBVZZGZPMHMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c19-15-6-7-18(21)17(9-15)14-8-16(11-20-10-14)22-12-13-4-2-1-3-5-13/h6-11,13,21H,1-5,12H2.
What are the key properties of 4-chloro-2-[5-(cyclohexylmethoxy)-3-pyridinyl]phenol?
4-chloro-2-[5-(cyclohexylmethoxy)-3-pyridinyl]phenol has a molecular weight of 317.82 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[5-(cyclohexylmethoxy)-3-pyridinyl]phenol is sourced from PubChem (CID 131970987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).