cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol

C15H22O2 — CID 11506917

IUPACcis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
SMILESCOc1ccc(CC[C@H]2CCC[C@@H](O)C2)cc1
InChIInChI=1S/C15H22O2/c1-17-15-9-7-12(8-10-15)5-6-13-3-2-4-14(16)11-13/h7-10,13-14,16H,2-6,11H2,1H3/t13-,14-/m1/s1
InChIKeyOWOQHWBQEWIZCC-ZIAGYGMSSA-N
MW234.34 g/mol
LogP3.18
Rot. Bonds4

About cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol

cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol (PubChem CID 11506917) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
PubChem CID11506917
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Namecis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
SMILESCOc1ccc(CC[C@H]2CCC[C@@H](O)C2)cc1
InChIInChI=1S/C15H22O2/c1-17-15-9-7-12(8-10-15)5-6-13-3-2-4-14(16)11-13/h7-10,13-14,16H,2-6,11H2,1H3/t13-,14-/m1/s1
InChIKeyOWOQHWBQEWIZCC-ZIAGYGMSSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol (CID 11506917) is cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol is COc1ccc(CC[C@H]2CCC[C@@H](O)C2)cc1.
What is the InChIKey of cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol?
The InChIKey is OWOQHWBQEWIZCC-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H22O2/c1-17-15-9-7-12(8-10-15)5-6-13-3-2-4-14(16)11-13/h7-10,13-14,16H,2-6,11H2,1H3/t13-,14-/m1/s1.
What are the key properties of cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol?
cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 11506917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).