1-[(3,5-dimethylphenyl)-hydroxymethyl]cyclohexan-1-ol

C15H22O2 — CID 103451734

IUPAC1-[(3,5-dimethylphenyl)-hydroxymethyl]cyclohexan-1-ol
SMILESCc1cc(C)cc(C(O)C2(O)CCCCC2)c1
InChIInChI=1S/C15H22O2/c1-11-8-12(2)10-13(9-11)14(16)15(17)6-4-3-5-7-15/h8-10,14,16-17H,3-7H2,1-2H3
InChIKeyHZFCSMSDBSIUCR-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.03
Rot. Bonds2

About 1-[(3,5-dimethylphenyl)-hydroxymethyl]cyclohexan-1-ol

1-[(3,5-dimethylphenyl)-hydroxymethyl]cyclohexan-1-ol (PubChem CID 103451734) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)-hydroxymethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)-hydroxymethyl]cyclohexan-1-ol
PubChem CID103451734
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-[(3,5-dimethylphenyl)-hydroxymethyl]cyclohexan-1-ol
SMILESCc1cc(C)cc(C(O)C2(O)CCCCC2)c1
InChIInChI=1S/C15H22O2/c1-11-8-12(2)10-13(9-11)14(16)15(17)6-4-3-5-7-15/h8-10,14,16-17H,3-7H2,1-2H3
InChIKeyHZFCSMSDBSIUCR-UHFFFAOYSA-N
XLogP3.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[hydroxy-(4-methylphenyl)methyl]cyclobutan-1-ol
CID 59815118
1-[(3-chloro-4-methylphenyl)-hydroxymethyl]cycloheptan-1-ol
CID 107560180
(3,5-dimethylphenyl)-(1-ethoxycycloheptyl)methanol
CID 116756160
1-[hydroxy-(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol
CID 106680334
1-[hydroxy-[3-(2-methylpropyl)phenyl]methyl]cyclohexan-1-ol
CID 103451727
1-[(2-amino-5-methyl-3-pyridinyl)-hydroxymethyl]cyclohexan-1-ol
CID 103451752
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3,5-dimethylphenyl)methanol
CID 79137995
1-[hydroxy-(4-propylphenyl)methyl]cycloheptan-1-ol
CID 103452040
1-[(4-chloro-3-methoxyphenyl)-hydroxymethyl]cycloheptan-1-ol
CID 103452210
(3-chloro-5-methylphenyl)-(1-methylcyclohexyl)methanol;formaldehyde;methanol
CID 142848793
(3-methylphenyl)-(1-phenylcyclopentyl)methanol
CID 63414399
[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-(3,5-dimethylphenyl)methanol
CID 115338540

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)-hydroxymethyl]cyclohexan-1-ol?
The IUPAC name of 1-[(3,5-dimethylphenyl)-hydroxymethyl]cyclohexan-1-ol (CID 103451734) is 1-[(3,5-dimethylphenyl)-hydroxymethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)-hydroxymethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(3,5-dimethylphenyl)-hydroxymethyl]cyclohexan-1-ol is Cc1cc(C)cc(C(O)C2(O)CCCCC2)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)-hydroxymethyl]cyclohexan-1-ol?
The InChIKey is HZFCSMSDBSIUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-11-8-12(2)10-13(9-11)14(16)15(17)6-4-3-5-7-15/h8-10,14,16-17H,3-7H2,1-2H3.
What are the key properties of 1-[(3,5-dimethylphenyl)-hydroxymethyl]cyclohexan-1-ol?
1-[(3,5-dimethylphenyl)-hydroxymethyl]cyclohexan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)-hydroxymethyl]cyclohexan-1-ol is sourced from PubChem (CID 103451734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).