2,2,3,3-tetrakis(hydroxymethyl)-1-phenylcyclohexan-1-ol

C16H24O5 — CID 67828369

IUPAC2,2,3,3-tetrakis(hydroxymethyl)-1-phenylcyclohexan-1-ol
SMILESOCC1(CO)CCCC(O)(c2ccccc2)C1(CO)CO
InChIInChI=1S/C16H24O5/c17-9-14(10-18)7-4-8-16(21,15(14,11-19)12-20)13-5-2-1-3-6-13/h1-3,5-6,17-21H,4,7-12H2
InChIKeyLXFSRNIPNIUADS-UHFFFAOYSA-N
MW296.36 g/mol
LogP0.00
Rot. Bonds5

About 2,2,3,3-tetrakis(hydroxymethyl)-1-phenylcyclohexan-1-ol

2,2,3,3-tetrakis(hydroxymethyl)-1-phenylcyclohexan-1-ol (PubChem CID 67828369) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is 2,2,3,3-tetrakis(hydroxymethyl)-1-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name2,2,3,3-tetrakis(hydroxymethyl)-1-phenylcyclohexan-1-ol
PubChem CID67828369
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Name2,2,3,3-tetrakis(hydroxymethyl)-1-phenylcyclohexan-1-ol
SMILESOCC1(CO)CCCC(O)(c2ccccc2)C1(CO)CO
InChIInChI=1S/C16H24O5/c17-9-14(10-18)7-4-8-16(21,15(14,11-19)12-20)13-5-2-1-3-6-13/h1-3,5-6,17-21H,4,7-12H2
InChIKeyLXFSRNIPNIUADS-UHFFFAOYSA-N
XLogP0.00
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 50.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol
CID 15915235
trans-(1R,2R)-1-methyl-2-phenylcyclohexane-1,2-diol
CID 101349551
azane;1-phenylcyclobutan-1-ol
CID 175547532
2-(dimethylamino)-2-methyl-1-phenylcyclohexan-1-ol
CID 66606780
(1R,4S)-1,4-diphenylcyclohex-2-ene-1,4-diol
CID 91116879
trans-(1S,2S)-1-benzyl-2-(hydroxymethyl)-2-(3-hydroxypropyl)cyclopentan-1-ol
CID 101461012
cis-(1R,2S)-4-methylidene-1,2-diphenylcyclopentane-1,2-diol
CID 10967455
copper;1-phenylcyclohexan-1-ol
CID 174727157
2,2-dimethyl-1-(4-phenylphenyl)cyclohexan-1-ol
CID 79841974
ethane;1-phenylcyclohexan-1-ol
CID 144640846
(4S)-1,3,3-trimethyl-4-phenylpiperidin-1-ium-4-ol
CID 6944225
1-(3-phenylphenyl)cyclobutan-1-ol
CID 174781910

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrakis(hydroxymethyl)-1-phenylcyclohexan-1-ol?
The IUPAC name of 2,2,3,3-tetrakis(hydroxymethyl)-1-phenylcyclohexan-1-ol (CID 67828369) is 2,2,3,3-tetrakis(hydroxymethyl)-1-phenylcyclohexan-1-ol.
What is the SMILES notation for 2,2,3,3-tetrakis(hydroxymethyl)-1-phenylcyclohexan-1-ol?
The canonical SMILES for 2,2,3,3-tetrakis(hydroxymethyl)-1-phenylcyclohexan-1-ol is OCC1(CO)CCCC(O)(c2ccccc2)C1(CO)CO.
What is the InChIKey of 2,2,3,3-tetrakis(hydroxymethyl)-1-phenylcyclohexan-1-ol?
The InChIKey is LXFSRNIPNIUADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O5/c17-9-14(10-18)7-4-8-16(21,15(14,11-19)12-20)13-5-2-1-3-6-13/h1-3,5-6,17-21H,4,7-12H2.
What are the key properties of 2,2,3,3-tetrakis(hydroxymethyl)-1-phenylcyclohexan-1-ol?
2,2,3,3-tetrakis(hydroxymethyl)-1-phenylcyclohexan-1-ol has a molecular weight of 296.36 g/mol, XLogP of 0.00, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrakis(hydroxymethyl)-1-phenylcyclohexan-1-ol is sourced from PubChem (CID 67828369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).