3-[(4-methylphenyl)methyl]cyclohexan-1-ol

C14H20O — CID 64515561

IUPAC3-[(4-methylphenyl)methyl]cyclohexan-1-ol
SMILESCc1ccc(CC2CCCC(O)C2)cc1
InChIInChI=1S/C14H20O/c1-11-5-7-12(8-6-11)9-13-3-2-4-14(15)10-13/h5-8,13-15H,2-4,9-10H2,1H3
InChIKeyPLUBSBKRGCBURA-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.09
Rot. Bonds2

About 3-[(4-methylphenyl)methyl]cyclohexan-1-ol

3-[(4-methylphenyl)methyl]cyclohexan-1-ol (PubChem CID 64515561) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]cyclohexan-1-ol
PubChem CID64515561
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name3-[(4-methylphenyl)methyl]cyclohexan-1-ol
SMILESCc1ccc(CC2CCCC(O)C2)cc1
InChIInChI=1S/C14H20O/c1-11-5-7-12(8-6-11)9-13-3-2-4-14(15)10-13/h5-8,13-15H,2-4,9-10H2,1H3
InChIKeyPLUBSBKRGCBURA-UHFFFAOYSA-N
XLogP3.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 3-[(4-methylphenyl)methyl]cyclohexan-1-ol (CID 64515561) is 3-[(4-methylphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[(4-methylphenyl)methyl]cyclohexan-1-ol is Cc1ccc(CC2CCCC(O)C2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]cyclohexan-1-ol?
The InChIKey is PLUBSBKRGCBURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-11-5-7-12(8-6-11)9-13-3-2-4-14(15)10-13/h5-8,13-15H,2-4,9-10H2,1H3.
What are the key properties of 3-[(4-methylphenyl)methyl]cyclohexan-1-ol?
3-[(4-methylphenyl)methyl]cyclohexan-1-ol has a molecular weight of 204.31 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 64515561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).