4-methoxy-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol

C17H26O2 — CID 116542858

IUPAC4-methoxy-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol
SMILESCOC1CCC(O)(c2cccc(CC(C)C)c2)CC1
InChIInChI=1S/C17H26O2/c1-13(2)11-14-5-4-6-15(12-14)17(18)9-7-16(19-3)8-10-17/h4-6,12-13,16,18H,7-11H2,1-3H3
InChIKeyRRASRCSWGKSQNE-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.66
Rot. Bonds4

About 4-methoxy-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol

4-methoxy-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol (PubChem CID 116542858) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 4-methoxy-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methoxy-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol
PubChem CID116542858
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name4-methoxy-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol
SMILESCOC1CCC(O)(c2cccc(CC(C)C)c2)CC1
InChIInChI=1S/C17H26O2/c1-13(2)11-14-5-4-6-15(12-14)17(18)9-7-16(19-3)8-10-17/h4-6,12-13,16,18H,7-11H2,1-3H3
InChIKeyRRASRCSWGKSQNE-UHFFFAOYSA-N
XLogP3.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-1-[3-(2-methylpropyl)phenyl]cyclobutan-1-ol
CID 106823598
2-methyl-1-[3-(2-methylpropyl)phenyl]cyclopentan-1-ol
CID 116542606
4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol
CID 116542318
4-[3-(2-methylpropyl)phenyl]-1-propan-2-ylazepan-4-ol
CID 116542614
3-[3-(2-methylpropyl)phenyl]piperidin-3-ol
CID 116542352
2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol
CID 116542681
4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine
CID 116543004
tert-butyl 3-hydroxy-3-[3-(2-methylpropyl)phenyl]azetidine-1-carboxylate
CID 104890831
4-ethyl-1-(3-propylphenyl)cyclohexan-1-ol
CID 116542251
1-[3-(2-methoxy-2-methylpropyl)phenyl]cyclopropan-1-ol
CID 117117355
1-[3-(fluoromethyl)phenyl]cyclopropan-1-ol
CID 117276391
4-(propylamino)-1-(3-propylphenyl)cyclohexan-1-ol
CID 116546270

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol?
The IUPAC name of 4-methoxy-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol (CID 116542858) is 4-methoxy-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methoxy-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol?
The canonical SMILES for 4-methoxy-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol is COC1CCC(O)(c2cccc(CC(C)C)c2)CC1.
What is the InChIKey of 4-methoxy-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol?
The InChIKey is RRASRCSWGKSQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-13(2)11-14-5-4-6-15(12-14)17(18)9-7-16(19-3)8-10-17/h4-6,12-13,16,18H,7-11H2,1-3H3.
What are the key properties of 4-methoxy-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol?
4-methoxy-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 116542858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).