[(4R)-2-(4-chlorophenyl)-4-methylcyclohexen-1-yl]methanol

C14H17ClO — CID 168859026

IUPAC[(4R)-2-(4-chlorophenyl)-4-methylcyclohexen-1-yl]methanol
SMILESC[C@@H]1CCC(CO)=C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H17ClO/c1-10-2-3-12(9-16)14(8-10)11-4-6-13(15)7-5-11/h4-7,10,16H,2-3,8-9H2,1H3/t10-/m1/s1
InChIKeyYLIHDOCVGFXXTB-SNVBAGLBSA-N
MW236.74 g/mol
LogP3.91
Rot. Bonds2

About [(4R)-2-(4-chlorophenyl)-4-methylcyclohexen-1-yl]methanol

[(4R)-2-(4-chlorophenyl)-4-methylcyclohexen-1-yl]methanol (PubChem CID 168859026) has the molecular formula C14H17ClO and a molecular weight of 236.74 g/mol. Its IUPAC name is [(4R)-2-(4-chlorophenyl)-4-methylcyclohexen-1-yl]methanol.

Molecular Properties

Compound Name[(4R)-2-(4-chlorophenyl)-4-methylcyclohexen-1-yl]methanol
PubChem CID168859026
Molecular FormulaC14H17ClO
Molecular Weight236.74 g/mol
Exact Mass236.10
IUPAC Name[(4R)-2-(4-chlorophenyl)-4-methylcyclohexen-1-yl]methanol
SMILESC[C@@H]1CCC(CO)=C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H17ClO/c1-10-2-3-12(9-16)14(8-10)11-4-6-13(15)7-5-11/h4-7,10,16H,2-3,8-9H2,1H3/t10-/m1/s1
InChIKeyYLIHDOCVGFXXTB-SNVBAGLBSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridin-5-yl]methanol
CID 46856198
1-[3-[2-(hydroxymethyl)-5-methylcyclohexen-1-yl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 118626286
[5-(4-methylphenyl)-2,3,6,7-tetrahydrooxepin-4-yl]methanol
CID 139466686
2-[(4-chlorophenyl)methylidene]-4-methylcyclohexan-1-one
CID 68642658
5-(4-chlorophenyl)-8-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine
CID 59311778
[4-(4-chlorophenyl)-1-methylpyrazol-5-yl]methanol
CID 89482659
2-(4-chlorophenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
CID 82036084
1-(2-bromocyclobuten-1-yl)-4-chlorobenzene
CID 164680892
(1R,6R)-4-(4-chlorophenyl)-6-methylcyclohex-3-ene-1-carboxylic acid
CID 125489883
4-[(4-chlorophenyl)methyl]-5-hydroxycyclohept-4-ene-1-carbaldehyde;methanol
CID 142954611
2-(4-chlorophenyl)-2-cyclohexylethanol
CID 79018633
5-(chloromethyl)-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine
CID 154679027

Frequently Asked Questions

What is the IUPAC name of [(4R)-2-(4-chlorophenyl)-4-methylcyclohexen-1-yl]methanol?
The IUPAC name of [(4R)-2-(4-chlorophenyl)-4-methylcyclohexen-1-yl]methanol (CID 168859026) is [(4R)-2-(4-chlorophenyl)-4-methylcyclohexen-1-yl]methanol.
What is the SMILES notation for [(4R)-2-(4-chlorophenyl)-4-methylcyclohexen-1-yl]methanol?
The canonical SMILES for [(4R)-2-(4-chlorophenyl)-4-methylcyclohexen-1-yl]methanol is C[C@@H]1CCC(CO)=C(c2ccc(Cl)cc2)C1.
What is the InChIKey of [(4R)-2-(4-chlorophenyl)-4-methylcyclohexen-1-yl]methanol?
The InChIKey is YLIHDOCVGFXXTB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17ClO/c1-10-2-3-12(9-16)14(8-10)11-4-6-13(15)7-5-11/h4-7,10,16H,2-3,8-9H2,1H3/t10-/m1/s1.
What are the key properties of [(4R)-2-(4-chlorophenyl)-4-methylcyclohexen-1-yl]methanol?
[(4R)-2-(4-chlorophenyl)-4-methylcyclohexen-1-yl]methanol has a molecular weight of 236.74 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2-(4-chlorophenyl)-4-methylcyclohexen-1-yl]methanol is sourced from PubChem (CID 168859026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).