(2R)-4-(1-hydroxycyclohexyl)butane-1,2-diol

C10H20O3 — CID 102425683

IUPAC(2R)-4-(1-hydroxycyclohexyl)butane-1,2-diol
SMILESOC[C@H](O)CCC1(O)CCCCC1
InChIInChI=1S/C10H20O3/c11-8-9(12)4-7-10(13)5-2-1-3-6-10/h9,11-13H,1-8H2/t9-/m1/s1
InChIKeyAPZGUEZRXDHVOQ-SECBINFHSA-N
MW188.27 g/mol
LogP0.81
Rot. Bonds4

About (2R)-4-(1-hydroxycyclohexyl)butane-1,2-diol

(2R)-4-(1-hydroxycyclohexyl)butane-1,2-diol (PubChem CID 102425683) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2R)-4-(1-hydroxycyclohexyl)butane-1,2-diol.

Molecular Properties

Compound Name(2R)-4-(1-hydroxycyclohexyl)butane-1,2-diol
PubChem CID102425683
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(2R)-4-(1-hydroxycyclohexyl)butane-1,2-diol
SMILESOC[C@H](O)CCC1(O)CCCCC1
InChIInChI=1S/C10H20O3/c11-8-9(12)4-7-10(13)5-2-1-3-6-10/h9,11-13H,1-8H2/t9-/m1/s1
InChIKeyAPZGUEZRXDHVOQ-SECBINFHSA-N
XLogP0.81
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(1-hydroxycyclohexyl)butane-1,2-diol?
The IUPAC name of (2R)-4-(1-hydroxycyclohexyl)butane-1,2-diol (CID 102425683) is (2R)-4-(1-hydroxycyclohexyl)butane-1,2-diol.
What is the SMILES notation for (2R)-4-(1-hydroxycyclohexyl)butane-1,2-diol?
The canonical SMILES for (2R)-4-(1-hydroxycyclohexyl)butane-1,2-diol is OC[C@H](O)CCC1(O)CCCCC1.
What is the InChIKey of (2R)-4-(1-hydroxycyclohexyl)butane-1,2-diol?
The InChIKey is APZGUEZRXDHVOQ-SECBINFHSA-N. The full InChI is InChI=1S/C10H20O3/c11-8-9(12)4-7-10(13)5-2-1-3-6-10/h9,11-13H,1-8H2/t9-/m1/s1.
What are the key properties of (2R)-4-(1-hydroxycyclohexyl)butane-1,2-diol?
(2R)-4-(1-hydroxycyclohexyl)butane-1,2-diol has a molecular weight of 188.27 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(1-hydroxycyclohexyl)butane-1,2-diol is sourced from PubChem (CID 102425683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).