4-(2-chlorocyclohex-2-en-1-yl)phenol

C12H13ClO — CID 121009158

IUPAC4-(2-chlorocyclohex-2-en-1-yl)phenol
SMILESOc1ccc(C2CCCC=C2Cl)cc1
InChIInChI=1S/C12H13ClO/c13-12-4-2-1-3-11(12)9-5-7-10(14)8-6-9/h4-8,11,14H,1-3H2
InChIKeyVFMDCXXRNRDUDS-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.78
Rot. Bonds1

About 4-(2-chlorocyclohex-2-en-1-yl)phenol

4-(2-chlorocyclohex-2-en-1-yl)phenol (PubChem CID 121009158) has the molecular formula C12H13ClO and a molecular weight of 208.69 g/mol. Its IUPAC name is 4-(2-chlorocyclohex-2-en-1-yl)phenol.

Molecular Properties

Compound Name4-(2-chlorocyclohex-2-en-1-yl)phenol
PubChem CID121009158
Molecular FormulaC12H13ClO
Molecular Weight208.69 g/mol
Exact Mass208.07
IUPAC Name4-(2-chlorocyclohex-2-en-1-yl)phenol
SMILESOc1ccc(C2CCCC=C2Cl)cc1
InChIInChI=1S/C12H13ClO/c13-12-4-2-1-3-11(12)9-5-7-10(14)8-6-9/h4-8,11,14H,1-3H2
InChIKeyVFMDCXXRNRDUDS-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorocyclohex-2-en-1-yl)phenol?
The IUPAC name of 4-(2-chlorocyclohex-2-en-1-yl)phenol (CID 121009158) is 4-(2-chlorocyclohex-2-en-1-yl)phenol.
What is the SMILES notation for 4-(2-chlorocyclohex-2-en-1-yl)phenol?
The canonical SMILES for 4-(2-chlorocyclohex-2-en-1-yl)phenol is Oc1ccc(C2CCCC=C2Cl)cc1.
What is the InChIKey of 4-(2-chlorocyclohex-2-en-1-yl)phenol?
The InChIKey is VFMDCXXRNRDUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO/c13-12-4-2-1-3-11(12)9-5-7-10(14)8-6-9/h4-8,11,14H,1-3H2.
What are the key properties of 4-(2-chlorocyclohex-2-en-1-yl)phenol?
4-(2-chlorocyclohex-2-en-1-yl)phenol has a molecular weight of 208.69 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorocyclohex-2-en-1-yl)phenol is sourced from PubChem (CID 121009158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).