1-(3-chlorophenyl)-2-cyclohexylethane-1,2-diol

C14H19ClO2 — CID 103459098

IUPAC1-(3-chlorophenyl)-2-cyclohexylethane-1,2-diol
SMILESOC(c1cccc(Cl)c1)C(O)C1CCCCC1
InChIInChI=1S/C14H19ClO2/c15-12-8-4-7-11(9-12)14(17)13(16)10-5-2-1-3-6-10/h4,7-10,13-14,16-17H,1-3,5-6H2
InChIKeyMTJOWSBEVGEDNZ-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.31
Rot. Bonds3

About 1-(3-chlorophenyl)-2-cyclohexylethane-1,2-diol

1-(3-chlorophenyl)-2-cyclohexylethane-1,2-diol (PubChem CID 103459098) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-cyclohexylethane-1,2-diol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-cyclohexylethane-1,2-diol
PubChem CID103459098
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name1-(3-chlorophenyl)-2-cyclohexylethane-1,2-diol
SMILESOC(c1cccc(Cl)c1)C(O)C1CCCCC1
InChIInChI=1S/C14H19ClO2/c15-12-8-4-7-11(9-12)14(17)13(16)10-5-2-1-3-6-10/h4,7-10,13-14,16-17H,1-3,5-6H2
InChIKeyMTJOWSBEVGEDNZ-UHFFFAOYSA-N
XLogP3.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-amino-2-(3-chlorophenyl)-1-cyclohexylethanol
CID 171162235
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
1-(3-chlorophenyl)-2-cyclopropyl-2-methoxyethanol
CID 116712514
(1R)-1-(3-chlorophenyl)-2-methylpropan-1-ol
CID 93312224
3-(3-chlorophenyl)-3-cyclohexylpropan-1-amine
CID 82087861
2-(3-chlorophenyl)-1-cycloheptylethanol
CID 63518276
(3-chlorophenyl)-[(3R)-piperidin-3-yl]methanol
CID 67190676
1-(3-cyclobutylphenyl)-2-cyclopropylethane-1,2-diol
CID 103456751
(3-chlorophenyl)methanediol
CID 20679602
4-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperazine-1-carboxylic acid
CID 174510521
N-[1-(3-chlorophenyl)propyl]-1-cyclohexylpropan-1-amine
CID 63477846
N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
CID 80610112

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-cyclohexylethane-1,2-diol?
The IUPAC name of 1-(3-chlorophenyl)-2-cyclohexylethane-1,2-diol (CID 103459098) is 1-(3-chlorophenyl)-2-cyclohexylethane-1,2-diol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-cyclohexylethane-1,2-diol?
The canonical SMILES for 1-(3-chlorophenyl)-2-cyclohexylethane-1,2-diol is OC(c1cccc(Cl)c1)C(O)C1CCCCC1.
What is the InChIKey of 1-(3-chlorophenyl)-2-cyclohexylethane-1,2-diol?
The InChIKey is MTJOWSBEVGEDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c15-12-8-4-7-11(9-12)14(17)13(16)10-5-2-1-3-6-10/h4,7-10,13-14,16-17H,1-3,5-6H2.
What are the key properties of 1-(3-chlorophenyl)-2-cyclohexylethane-1,2-diol?
1-(3-chlorophenyl)-2-cyclohexylethane-1,2-diol has a molecular weight of 254.76 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-cyclohexylethane-1,2-diol is sourced from PubChem (CID 103459098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).