4-chloro-2-[(1S,2R)-2-hydroxycyclohexyl]phenol

C12H15ClO2 — CID 18653092

IUPAC4-chloro-2-[(1S,2R)-2-hydroxycyclohexyl]phenol
SMILESOc1ccc(Cl)cc1[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H15ClO2/c13-8-5-6-12(15)10(7-8)9-3-1-2-4-11(9)14/h5-7,9,11,14-15H,1-4H2/t9-,11+/m0/s1
InChIKeyYXLODOZHOBGODL-GXSJLCMTSA-N
MW226.70 g/mol
LogP3.06
Rot. Bonds1

About 4-chloro-2-[(1S,2R)-2-hydroxycyclohexyl]phenol

4-chloro-2-[(1S,2R)-2-hydroxycyclohexyl]phenol (PubChem CID 18653092) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 4-chloro-2-[(1S,2R)-2-hydroxycyclohexyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(1S,2R)-2-hydroxycyclohexyl]phenol
PubChem CID18653092
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name4-chloro-2-[(1S,2R)-2-hydroxycyclohexyl]phenol
SMILESOc1ccc(Cl)cc1[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H15ClO2/c13-8-5-6-12(15)10(7-8)9-3-1-2-4-11(9)14/h5-7,9,11,14-15H,1-4H2/t9-,11+/m0/s1
InChIKeyYXLODOZHOBGODL-GXSJLCMTSA-N
XLogP3.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(1S,2R)-2-hydroxycyclohexyl]phenol?
The IUPAC name of 4-chloro-2-[(1S,2R)-2-hydroxycyclohexyl]phenol (CID 18653092) is 4-chloro-2-[(1S,2R)-2-hydroxycyclohexyl]phenol.
What is the SMILES notation for 4-chloro-2-[(1S,2R)-2-hydroxycyclohexyl]phenol?
The canonical SMILES for 4-chloro-2-[(1S,2R)-2-hydroxycyclohexyl]phenol is Oc1ccc(Cl)cc1[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 4-chloro-2-[(1S,2R)-2-hydroxycyclohexyl]phenol?
The InChIKey is YXLODOZHOBGODL-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H15ClO2/c13-8-5-6-12(15)10(7-8)9-3-1-2-4-11(9)14/h5-7,9,11,14-15H,1-4H2/t9-,11+/m0/s1.
What are the key properties of 4-chloro-2-[(1S,2R)-2-hydroxycyclohexyl]phenol?
4-chloro-2-[(1S,2R)-2-hydroxycyclohexyl]phenol has a molecular weight of 226.70 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(1S,2R)-2-hydroxycyclohexyl]phenol is sourced from PubChem (CID 18653092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).