1-(4-methoxyphenyl)-3-methylcyclohexan-1-ol

C14H20O2 — CID 60794519

IUPAC1-(4-methoxyphenyl)-3-methylcyclohexan-1-ol
SMILESCOc1ccc(C2(O)CCCC(C)C2)cc1
InChIInChI=1S/C14H20O2/c1-11-4-3-9-14(15,10-11)12-5-7-13(16-2)8-6-12/h5-8,11,15H,3-4,9-10H2,1-2H3
InChIKeyHDCUJEJHGGIUEM-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.09
Rot. Bonds2

About 1-(4-methoxyphenyl)-3-methylcyclohexan-1-ol

1-(4-methoxyphenyl)-3-methylcyclohexan-1-ol (PubChem CID 60794519) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-methylcyclohexan-1-ol
PubChem CID60794519
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-(4-methoxyphenyl)-3-methylcyclohexan-1-ol
SMILESCOc1ccc(C2(O)CCCC(C)C2)cc1
InChIInChI=1S/C14H20O2/c1-11-4-3-9-14(15,10-11)12-5-7-13(16-2)8-6-12/h5-8,11,15H,3-4,9-10H2,1-2H3
InChIKeyHDCUJEJHGGIUEM-UHFFFAOYSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-methylcyclohexan-1-ol?
The IUPAC name of 1-(4-methoxyphenyl)-3-methylcyclohexan-1-ol (CID 60794519) is 1-(4-methoxyphenyl)-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-3-methylcyclohexan-1-ol is COc1ccc(C2(O)CCCC(C)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-methylcyclohexan-1-ol?
The InChIKey is HDCUJEJHGGIUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11-4-3-9-14(15,10-11)12-5-7-13(16-2)8-6-12/h5-8,11,15H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-methylcyclohexan-1-ol?
1-(4-methoxyphenyl)-3-methylcyclohexan-1-ol has a molecular weight of 220.31 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-methylcyclohexan-1-ol is sourced from PubChem (CID 60794519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).