(3-methylcyclohexyl)-(2-propoxyphenyl)methanol

C17H26O2 — CID 104658787

IUPAC(3-methylcyclohexyl)-(2-propoxyphenyl)methanol
SMILESCCCOc1ccccc1C(O)C1CCCC(C)C1
InChIInChI=1S/C17H26O2/c1-3-11-19-16-10-5-4-9-15(16)17(18)14-8-6-7-13(2)12-14/h4-5,9-10,13-14,17-18H,3,6-8,11-12H2,1-2H3
InChIKeyRQDFDXKFVRHDCH-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.34
Rot. Bonds5

About (3-methylcyclohexyl)-(2-propoxyphenyl)methanol

(3-methylcyclohexyl)-(2-propoxyphenyl)methanol (PubChem CID 104658787) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (3-methylcyclohexyl)-(2-propoxyphenyl)methanol.

Molecular Properties

Compound Name(3-methylcyclohexyl)-(2-propoxyphenyl)methanol
PubChem CID104658787
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(3-methylcyclohexyl)-(2-propoxyphenyl)methanol
SMILESCCCOc1ccccc1C(O)C1CCCC(C)C1
InChIInChI=1S/C17H26O2/c1-3-11-19-16-10-5-4-9-15(16)17(18)14-8-6-7-13(2)12-14/h4-5,9-10,13-14,17-18H,3,6-8,11-12H2,1-2H3
InChIKeyRQDFDXKFVRHDCH-UHFFFAOYSA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethoxyphenyl)-(4-methylcyclohexyl)methanol
CID 62801891
(3-methylcyclohexyl)-naphthalen-1-ylmethanol
CID 63411173
[(2-ethoxyphenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105210206
1-cyclopentyl-2-(2-propoxyphenoxy)ethanol
CID 104753565
[(3-ethylcyclohexyl)-(2-propoxyphenyl)methyl]hydrazine
CID 105232856
3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine
CID 62571085
1-(2-propoxyphenyl)ethanol
CID 43503976
N-[6-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine
CID 105035932
N-[3-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine
CID 105035798
2,3-dihydro-1-benzofuran-2-yl-(2-propoxyphenyl)methanol
CID 104659715
N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 64987111
N-[3-(2-propoxyphenyl)butan-2-yl]cyclopropanamine
CID 104662486

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl)-(2-propoxyphenyl)methanol?
The IUPAC name of (3-methylcyclohexyl)-(2-propoxyphenyl)methanol (CID 104658787) is (3-methylcyclohexyl)-(2-propoxyphenyl)methanol.
What is the SMILES notation for (3-methylcyclohexyl)-(2-propoxyphenyl)methanol?
The canonical SMILES for (3-methylcyclohexyl)-(2-propoxyphenyl)methanol is CCCOc1ccccc1C(O)C1CCCC(C)C1.
What is the InChIKey of (3-methylcyclohexyl)-(2-propoxyphenyl)methanol?
The InChIKey is RQDFDXKFVRHDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-3-11-19-16-10-5-4-9-15(16)17(18)14-8-6-7-13(2)12-14/h4-5,9-10,13-14,17-18H,3,6-8,11-12H2,1-2H3.
What are the key properties of (3-methylcyclohexyl)-(2-propoxyphenyl)methanol?
(3-methylcyclohexyl)-(2-propoxyphenyl)methanol has a molecular weight of 262.39 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl)-(2-propoxyphenyl)methanol is sourced from PubChem (CID 104658787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).