2-[(3-methylphenoxy)methyl]cyclohexan-1-ol

C14H20O2 — CID 58097648

IUPAC2-[(3-methylphenoxy)methyl]cyclohexan-1-ol
SMILESCc1cccc(OCC2CCCCC2O)c1
InChIInChI=1S/C14H20O2/c1-11-5-4-7-13(9-11)16-10-12-6-2-3-8-14(12)15/h4-5,7,9,12,14-15H,2-3,6,8,10H2,1H3
InChIKeyDRCVVGULAMYQRL-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.92
Rot. Bonds3

About 2-[(3-methylphenoxy)methyl]cyclohexan-1-ol

2-[(3-methylphenoxy)methyl]cyclohexan-1-ol (PubChem CID 58097648) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-[(3-methylphenoxy)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3-methylphenoxy)methyl]cyclohexan-1-ol
PubChem CID58097648
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-[(3-methylphenoxy)methyl]cyclohexan-1-ol
SMILESCc1cccc(OCC2CCCCC2O)c1
InChIInChI=1S/C14H20O2/c1-11-5-4-7-13(9-11)16-10-12-6-2-3-8-14(12)15/h4-5,7,9,12,14-15H,2-3,6,8,10H2,1H3
InChIKeyDRCVVGULAMYQRL-UHFFFAOYSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenoxy)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(3-methylphenoxy)methyl]cyclohexan-1-ol (CID 58097648) is 2-[(3-methylphenoxy)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(3-methylphenoxy)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(3-methylphenoxy)methyl]cyclohexan-1-ol is Cc1cccc(OCC2CCCCC2O)c1.
What is the InChIKey of 2-[(3-methylphenoxy)methyl]cyclohexan-1-ol?
The InChIKey is DRCVVGULAMYQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11-5-4-7-13(9-11)16-10-12-6-2-3-8-14(12)15/h4-5,7,9,12,14-15H,2-3,6,8,10H2,1H3.
What are the key properties of 2-[(3-methylphenoxy)methyl]cyclohexan-1-ol?
2-[(3-methylphenoxy)methyl]cyclohexan-1-ol has a molecular weight of 220.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenoxy)methyl]cyclohexan-1-ol is sourced from PubChem (CID 58097648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).