4-(4-chloro-2-cyclohexylphenoxy)phenol

C18H19ClO2 — CID 12767829

IUPAC4-(4-chloro-2-cyclohexylphenoxy)phenol
SMILESOc1ccc(Oc2ccc(Cl)cc2C2CCCCC2)cc1
InChIInChI=1S/C18H19ClO2/c19-14-6-11-18(21-16-9-7-15(20)8-10-16)17(12-14)13-4-2-1-3-5-13/h6-13,20H,1-5H2
InChIKeyDKNIIYKYQHSMQB-UHFFFAOYSA-N
MW302.80 g/mol
LogP5.89
Rot. Bonds3

About 4-(4-chloro-2-cyclohexylphenoxy)phenol

4-(4-chloro-2-cyclohexylphenoxy)phenol (PubChem CID 12767829) has the molecular formula C18H19ClO2 and a molecular weight of 302.80 g/mol. Its IUPAC name is 4-(4-chloro-2-cyclohexylphenoxy)phenol.

Molecular Properties

Compound Name4-(4-chloro-2-cyclohexylphenoxy)phenol
PubChem CID12767829
Molecular FormulaC18H19ClO2
Molecular Weight302.80 g/mol
Exact Mass302.11
IUPAC Name4-(4-chloro-2-cyclohexylphenoxy)phenol
SMILESOc1ccc(Oc2ccc(Cl)cc2C2CCCCC2)cc1
InChIInChI=1S/C18H19ClO2/c19-14-6-11-18(21-16-9-7-15(20)8-10-16)17(12-14)13-4-2-1-3-5-13/h6-13,20H,1-5H2
InChIKeyDKNIIYKYQHSMQB-UHFFFAOYSA-N
XLogP5.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.80
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-cyclohexyl-1-methoxybenzene
CID 71228183
4-(4-chloro-2-cyclohexylphenoxy)piperidine
CID 22397483
potassium (4-chloro-2-cyclohexylphenoxy)methyl-trifluoroboranuide
CID 63703656
5-(4-chloro-2-cyclohexylphenoxy)pentanoic acid
CID 43351580
ethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate
CID 11688175
2-(4-chloro-2-cyclohexylphenoxy)-N,2-dimethylpropan-1-amine
CID 63488678
4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde
CID 135357943
4-chloro-1-cyclopentyl-2-fluorobenzene
CID 66685145
methyl 4-(4-chloro-2-cyclohexylphenoxy)butanoate
CID 43378258
(2-phenoxyphenyl)cycloheptane
CID 56995549
N-[2-(4-chloro-2-cyclohexylphenoxy)ethyl]propan-2-amine
CID 63517195
3-(4-chloro-2-cyclohexylphenoxy)-2-phenoxypropanoic acid
CID 57264075

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-cyclohexylphenoxy)phenol?
The IUPAC name of 4-(4-chloro-2-cyclohexylphenoxy)phenol (CID 12767829) is 4-(4-chloro-2-cyclohexylphenoxy)phenol.
What is the SMILES notation for 4-(4-chloro-2-cyclohexylphenoxy)phenol?
The canonical SMILES for 4-(4-chloro-2-cyclohexylphenoxy)phenol is Oc1ccc(Oc2ccc(Cl)cc2C2CCCCC2)cc1.
What is the InChIKey of 4-(4-chloro-2-cyclohexylphenoxy)phenol?
The InChIKey is DKNIIYKYQHSMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO2/c19-14-6-11-18(21-16-9-7-15(20)8-10-16)17(12-14)13-4-2-1-3-5-13/h6-13,20H,1-5H2.
What are the key properties of 4-(4-chloro-2-cyclohexylphenoxy)phenol?
4-(4-chloro-2-cyclohexylphenoxy)phenol has a molecular weight of 302.80 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-cyclohexylphenoxy)phenol is sourced from PubChem (CID 12767829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).