(4-cyclohexylphenyl)-dideuteriomethanol

C13H18O — CID 162410552

IUPAC(4-cyclohexylphenyl)-dideuteriomethanol
SMILES[2H]C([2H])(O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C13H18O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h6-9,12,14H,1-5,10H2/i10D2
InChIKeySMHACOFUYOUOBL-KBMKNGFXSA-N
MW192.30 g/mol
LogP3.23
Rot. Bonds2

About (4-cyclohexylphenyl)-dideuteriomethanol

(4-cyclohexylphenyl)-dideuteriomethanol (PubChem CID 162410552) has the molecular formula C13H18O and a molecular weight of 192.30 g/mol. Its IUPAC name is (4-cyclohexylphenyl)-dideuteriomethanol.

Molecular Properties

Compound Name(4-cyclohexylphenyl)-dideuteriomethanol
PubChem CID162410552
Molecular FormulaC13H18O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(4-cyclohexylphenyl)-dideuteriomethanol
SMILES[2H]C([2H])(O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C13H18O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h6-9,12,14H,1-5,10H2/i10D2
InChIKeySMHACOFUYOUOBL-KBMKNGFXSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-cyclohexylphenyl)-dideuteriomethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-cyclohexylphenyl)methanamine
CID 22246867
N-[(4-cyclopentylphenyl)methyl]hydroxylamine
CID 117282542
2-(4-cycloheptylphenyl)acetic acid
CID 21484425
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
1-cyclohexyl-4-(methylsulfanylmethyl)benzene
CID 59166778
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
[4-cyclohexyl-3-(trifluoromethyl)phenyl]-dideuteriomethanol
CID 140961429
4-(4-cyclohexylphenyl)butanoic acid
CID 3041568
methyl 2-(4-cycloheptylphenyl)acetate
CID 54417181
2-(4-cyclohexylphenyl)-1-(methylamino)ethanol
CID 175264213
1-cyclohexyl-4-fluorobenzene;phenylmethanol
CID 143134294
1-(chloromethyl)-4-cyclobutylbenzene
CID 57236902

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylphenyl)-dideuteriomethanol?
The IUPAC name of (4-cyclohexylphenyl)-dideuteriomethanol (CID 162410552) is (4-cyclohexylphenyl)-dideuteriomethanol.
What is the SMILES notation for (4-cyclohexylphenyl)-dideuteriomethanol?
The canonical SMILES for (4-cyclohexylphenyl)-dideuteriomethanol is [2H]C([2H])(O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of (4-cyclohexylphenyl)-dideuteriomethanol?
The InChIKey is SMHACOFUYOUOBL-KBMKNGFXSA-N. The full InChI is InChI=1S/C13H18O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h6-9,12,14H,1-5,10H2/i10D2.
What are the key properties of (4-cyclohexylphenyl)-dideuteriomethanol?
(4-cyclohexylphenyl)-dideuteriomethanol has a molecular weight of 192.30 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylphenyl)-dideuteriomethanol is sourced from PubChem (CID 162410552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).