1-cyclohexyl-2,2-bis(hydroxymethyl)-1-phenylpropane-1,3-diol

C17H26O4 — CID 156850348

IUPAC1-cyclohexyl-2,2-bis(hydroxymethyl)-1-phenylpropane-1,3-diol
SMILESOCC(CO)(CO)C(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H26O4/c18-11-16(12-19,13-20)17(21,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1,3-4,7-8,15,18-21H,2,5-6,9-13H2
InChIKeyDCLUKNVDNNSHAJ-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.42
Rot. Bonds6

About 1-cyclohexyl-2,2-bis(hydroxymethyl)-1-phenylpropane-1,3-diol

1-cyclohexyl-2,2-bis(hydroxymethyl)-1-phenylpropane-1,3-diol (PubChem CID 156850348) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-cyclohexyl-2,2-bis(hydroxymethyl)-1-phenylpropane-1,3-diol.

Molecular Properties

Compound Name1-cyclohexyl-2,2-bis(hydroxymethyl)-1-phenylpropane-1,3-diol
PubChem CID156850348
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name1-cyclohexyl-2,2-bis(hydroxymethyl)-1-phenylpropane-1,3-diol
SMILESOCC(CO)(CO)C(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H26O4/c18-11-16(12-19,13-20)17(21,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1,3-4,7-8,15,18-21H,2,5-6,9-13H2
InChIKeyDCLUKNVDNNSHAJ-UHFFFAOYSA-N
XLogP1.42
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-2,2-bis(hydroxymethyl)-1-phenylpropane-1,3-diol 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

Fenipentol
CID 3338
Benzhydrol
CID 7037
Triphenylcarbinol
CID 6457
1-Phenylcyclohexanol
CID 15319
Hydrobenzoin
CID 95447
1,1-Diphenylethanol
CID 69031
1,1,2-Triphenylethanol
CID 245013
(R,R)-Hydrobenzoin
CID 853019
1,2-Diphenylethanol
CID 94178
alpha-Cyclohexylbenzenemethanol
CID 95668
1,2-Propanediol, 1,1-diphenyl-
CID 2748265
fenipentol, (S)-
CID 6992754

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,2-bis(hydroxymethyl)-1-phenylpropane-1,3-diol?
The IUPAC name of 1-cyclohexyl-2,2-bis(hydroxymethyl)-1-phenylpropane-1,3-diol (CID 156850348) is 1-cyclohexyl-2,2-bis(hydroxymethyl)-1-phenylpropane-1,3-diol.
What is the SMILES notation for 1-cyclohexyl-2,2-bis(hydroxymethyl)-1-phenylpropane-1,3-diol?
The canonical SMILES for 1-cyclohexyl-2,2-bis(hydroxymethyl)-1-phenylpropane-1,3-diol is OCC(CO)(CO)C(O)(c1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2,2-bis(hydroxymethyl)-1-phenylpropane-1,3-diol?
The InChIKey is DCLUKNVDNNSHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c18-11-16(12-19,13-20)17(21,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1,3-4,7-8,15,18-21H,2,5-6,9-13H2.
What are the key properties of 1-cyclohexyl-2,2-bis(hydroxymethyl)-1-phenylpropane-1,3-diol?
1-cyclohexyl-2,2-bis(hydroxymethyl)-1-phenylpropane-1,3-diol has a molecular weight of 294.39 g/mol, XLogP of 1.42, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,2-bis(hydroxymethyl)-1-phenylpropane-1,3-diol is sourced from PubChem (CID 156850348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).