cis-(1S,2R)-2-ethyl-1-(2-ethylphenyl)cyclohexan-1-ol

C16H24O — CID 3056587

IUPACcis-(1S,2R)-2-ethyl-1-(2-ethylphenyl)cyclohexan-1-ol
SMILESCCc1ccccc1[C@]1(O)CCCC[C@H]1CC
InChIInChI=1S/C16H24O/c1-3-13-9-5-6-11-15(13)16(17)12-8-7-10-14(16)4-2/h5-6,9,11,14,17H,3-4,7-8,10,12H2,1-2H3/t14-,16+/m1/s1
InChIKeyFVZRQRRWMOGACG-ZBFHGGJFSA-N
MW232.37 g/mol
LogP4.04
Rot. Bonds3

About cis-(1S,2R)-2-ethyl-1-(2-ethylphenyl)cyclohexan-1-ol

cis-(1S,2R)-2-ethyl-1-(2-ethylphenyl)cyclohexan-1-ol (PubChem CID 3056587) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is cis-(1S,2R)-2-ethyl-1-(2-ethylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-ethyl-1-(2-ethylphenyl)cyclohexan-1-ol
PubChem CID3056587
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Namecis-(1S,2R)-2-ethyl-1-(2-ethylphenyl)cyclohexan-1-ol
SMILESCCc1ccccc1[C@]1(O)CCCC[C@H]1CC
InChIInChI=1S/C16H24O/c1-3-13-9-5-6-11-15(13)16(17)12-8-7-10-14(16)4-2/h5-6,9,11,14,17H,3-4,7-8,10,12H2,1-2H3/t14-,16+/m1/s1
InChIKeyFVZRQRRWMOGACG-ZBFHGGJFSA-N
XLogP4.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-ethyl-1-(2-ethylphenyl)cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-ethyl-1-(2-ethylphenyl)cyclohexan-1-ol (CID 3056587) is cis-(1S,2R)-2-ethyl-1-(2-ethylphenyl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-ethyl-1-(2-ethylphenyl)cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-ethyl-1-(2-ethylphenyl)cyclohexan-1-ol is CCc1ccccc1[C@]1(O)CCCC[C@H]1CC.
What is the InChIKey of cis-(1S,2R)-2-ethyl-1-(2-ethylphenyl)cyclohexan-1-ol?
The InChIKey is FVZRQRRWMOGACG-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H24O/c1-3-13-9-5-6-11-15(13)16(17)12-8-7-10-14(16)4-2/h5-6,9,11,14,17H,3-4,7-8,10,12H2,1-2H3/t14-,16+/m1/s1.
What are the key properties of cis-(1S,2R)-2-ethyl-1-(2-ethylphenyl)cyclohexan-1-ol?
cis-(1S,2R)-2-ethyl-1-(2-ethylphenyl)cyclohexan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-ethyl-1-(2-ethylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 3056587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).