4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;[2-(hydroxymethyl)cyclohexyl]methanol

C23H44O4 — CID 67640384

IUPAC4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;[2-(hydroxymethyl)cyclohexyl]methanol
SMILESCC(C)(C1CCC(O)CC1)C1CCC(O)CC1.OCC1CCCCC1CO
InChIInChI=1S/C15H28O2.C8H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;9-5-7-3-1-2-4-8(7)6-10/h11-14,16-17H,3-10H2,1-2H3;7-10H,1-6H2
InChIKeyJYQWWVFARLJAQG-UHFFFAOYSA-N
MW384.60 g/mol
LogP3.89
Rot. Bonds4

About 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;[2-(hydroxymethyl)cyclohexyl]methanol

4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;[2-(hydroxymethyl)cyclohexyl]methanol (PubChem CID 67640384) has the molecular formula C23H44O4 and a molecular weight of 384.60 g/mol. Its IUPAC name is 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;[2-(hydroxymethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;[2-(hydroxymethyl)cyclohexyl]methanol
PubChem CID67640384
Molecular FormulaC23H44O4
Molecular Weight384.60 g/mol
Exact Mass384.32
IUPAC Name4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;[2-(hydroxymethyl)cyclohexyl]methanol
SMILESCC(C)(C1CCC(O)CC1)C1CCC(O)CC1.OCC1CCCCC1CO
InChIInChI=1S/C15H28O2.C8H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;9-5-7-3-1-2-4-8(7)6-10/h11-14,16-17H,3-10H2,1-2H3;7-10H,1-6H2
InChIKeyJYQWWVFARLJAQG-UHFFFAOYSA-N
XLogP3.89
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.60
LogP ≤ 53.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyclohexylpropan-2-yl)cyclohexan-1-ol
CID 19694020
4-[2-(4-ethoxycyclohexyl)propan-2-yl]cyclohexan-1-ol
CID 70671036
4-[1-cyclohexyl-1-(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol
CID 20743939
[(1R,2R)-2-ethylcyclohexyl]methanol
CID 58154483
4-tert-butylcyclohexan-1-ol;methane
CID 159612628
4-[2-[4-[1-[4-[1-[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]oxyethoxy]cyclohexyl]oxyethoxy]cyclohexyl]propan-2-yl]cyclohexan-1-ol
CID 140509318
acetic acid;[(1R,2R)-2-(hydroxymethyl)cycloheptyl]methanol
CID 71398880
4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol
CID 89323282
cyclopentanol;2-methylpropan-2-ol
CID 175069289
(2-tert-butyloxan-3-yl)methanol
CID 79373679
3-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylpropan-1-ol
CID 81410855
4-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]cyclohexan-1-ol
CID 115239975

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;[2-(hydroxymethyl)cyclohexyl]methanol?
The IUPAC name of 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;[2-(hydroxymethyl)cyclohexyl]methanol (CID 67640384) is 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;[2-(hydroxymethyl)cyclohexyl]methanol.
What is the SMILES notation for 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;[2-(hydroxymethyl)cyclohexyl]methanol?
The canonical SMILES for 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;[2-(hydroxymethyl)cyclohexyl]methanol is CC(C)(C1CCC(O)CC1)C1CCC(O)CC1.OCC1CCCCC1CO.
What is the InChIKey of 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;[2-(hydroxymethyl)cyclohexyl]methanol?
The InChIKey is JYQWWVFARLJAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2.C8H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;9-5-7-3-1-2-4-8(7)6-10/h11-14,16-17H,3-10H2,1-2H3;7-10H,1-6H2.
What are the key properties of 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;[2-(hydroxymethyl)cyclohexyl]methanol?
4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;[2-(hydroxymethyl)cyclohexyl]methanol has a molecular weight of 384.60 g/mol, XLogP of 3.89, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;[2-(hydroxymethyl)cyclohexyl]methanol is sourced from PubChem (CID 67640384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).