3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol

C18H28O2 — CID 107449859

IUPAC3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol
SMILESCCCOc1ccccc1C1(O)CCCC(C(C)C)C1
InChIInChI=1S/C18H28O2/c1-4-12-20-17-10-6-5-9-16(17)18(19)11-7-8-15(13-18)14(2)3/h5-6,9-10,14-15,19H,4,7-8,11-13H2,1-3H3
InChIKeyJPOHHFWKBYZSIH-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.51
Rot. Bonds5

About 3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol

3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol (PubChem CID 107449859) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol
PubChem CID107449859
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol
SMILESCCCOc1ccccc1C1(O)CCCC(C(C)C)C1
InChIInChI=1S/C18H28O2/c1-4-12-20-17-10-6-5-9-16(17)18(19)11-7-8-15(13-18)14(2)3/h5-6,9-10,14-15,19H,4,7-8,11-13H2,1-3H3
InChIKeyJPOHHFWKBYZSIH-UHFFFAOYSA-N
XLogP4.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-propoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 104658752
1-(2-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol
CID 65090264
2-methyl-1-(2-propoxyphenyl)cyclopentan-1-ol
CID 104658757
3-(2-propoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 104658545
1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol
CID 104658449
1-ethyl-4-(2-propoxyphenyl)piperidin-4-ol
CID 104658514
2-ethyl-1-(2-propoxyphenyl)cyclohexan-1-ol
CID 104658729
2,3-dimethyl-1-(2-propoxyphenyl)cyclohexan-1-amine
CID 104659071
1-(2-ethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086371
4-ethyl-1-[2-(2-methoxyethoxy)phenyl]cycloheptan-1-ol
CID 104658769
1-(4-ethylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449675
1-(2-ethoxyphenyl)cycloheptan-1-ol
CID 55120332

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol?
The IUPAC name of 3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol (CID 107449859) is 3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol.
What is the SMILES notation for 3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol?
The canonical SMILES for 3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol is CCCOc1ccccc1C1(O)CCCC(C(C)C)C1.
What is the InChIKey of 3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol?
The InChIKey is JPOHHFWKBYZSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-4-12-20-17-10-6-5-9-16(17)18(19)11-7-8-15(13-18)14(2)3/h5-6,9-10,14-15,19H,4,7-8,11-13H2,1-3H3.
What are the key properties of 3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol?
3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol is sourced from PubChem (CID 107449859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).