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

C15H22O2 — CID 112745441

IUPAC4-(hydroxymethyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol
SMILESCc1ccc(CC2(CO)CCC(O)CC2)cc1
InChIInChI=1S/C15H22O2/c1-12-2-4-13(5-3-12)10-15(11-16)8-6-14(17)7-9-15/h2-5,14,16-17H,6-11H2,1H3
InChIKeyBGTYPZHRLYHDGH-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.45
Rot. Bonds3

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

4-(hydroxymethyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol (PubChem CID 112745441) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(hydroxymethyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol
PubChem CID112745441
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name4-(hydroxymethyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol
SMILESCc1ccc(CC2(CO)CCC(O)CC2)cc1
InChIInChI=1S/C15H22O2/c1-12-2-4-13(5-3-12)10-15(11-16)8-6-14(17)7-9-15/h2-5,14,16-17H,6-11H2,1H3
InChIKeyBGTYPZHRLYHDGH-UHFFFAOYSA-N
XLogP2.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-1-[(4-methylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 112745348
[1-[(4-ethylphenyl)methyl]cyclopropyl]methanol
CID 66025212
[1-[(4-phenylphenyl)methyl]cyclopropyl]methanol
CID 116928854
2-[1-[(4-methylphenyl)methyl]cyclopropyl]acetic acid
CID 22978374
[1-[(4-propylphenyl)methyl]cyclopropyl]methanol
CID 116928838
4,4-bis[(4-methylphenyl)sulfonylmethyl]cyclohexan-1-ol
CID 67174130
[4-tert-butyl-1-[(4-methylphenyl)methyl]cyclohexyl]methanamine
CID 63523406
[1-[(4-methylphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 65423125
1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylbenzene
CID 66048468
[1-[(4-tert-butylphenyl)methyl]cyclopentyl]methanol
CID 66026781
[1-[(3,5-dimethylphenyl)methyl]cyclopentyl]methanol
CID 66024135
[1-[(4-ethoxyphenyl)methyl]cyclopropyl]methanol
CID 116928851

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-(hydroxymethyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol (CID 112745441) is 4-(hydroxymethyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-(hydroxymethyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-(hydroxymethyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol is Cc1ccc(CC2(CO)CCC(O)CC2)cc1.
What is the InChIKey of 4-(hydroxymethyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol?
The InChIKey is BGTYPZHRLYHDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-12-2-4-13(5-3-12)10-15(11-16)8-6-14(17)7-9-15/h2-5,14,16-17H,6-11H2,1H3.
What are the key properties of 4-(hydroxymethyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol?
4-(hydroxymethyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 112745441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).