(4-propoxycyclohexyl)methanol

C10H20O2 — CID 57067448

IUPAC(4-propoxycyclohexyl)methanol
SMILESCCCOC1CCC(CO)CC1
InChIInChI=1S/C10H20O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h9-11H,2-8H2,1H3
InChIKeyOFGJRJOPIDDBOR-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.96
Rot. Bonds4

About (4-propoxycyclohexyl)methanol

(4-propoxycyclohexyl)methanol (PubChem CID 57067448) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (4-propoxycyclohexyl)methanol.

Molecular Properties

Compound Name(4-propoxycyclohexyl)methanol
PubChem CID57067448
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(4-propoxycyclohexyl)methanol
SMILESCCCOC1CCC(CO)CC1
InChIInChI=1S/C10H20O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h9-11H,2-8H2,1H3
InChIKeyOFGJRJOPIDDBOR-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-propoxycyclohexyl)methanol?
The IUPAC name of (4-propoxycyclohexyl)methanol (CID 57067448) is (4-propoxycyclohexyl)methanol.
What is the SMILES notation for (4-propoxycyclohexyl)methanol?
The canonical SMILES for (4-propoxycyclohexyl)methanol is CCCOC1CCC(CO)CC1.
What is the InChIKey of (4-propoxycyclohexyl)methanol?
The InChIKey is OFGJRJOPIDDBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h9-11H,2-8H2,1H3.
What are the key properties of (4-propoxycyclohexyl)methanol?
(4-propoxycyclohexyl)methanol has a molecular weight of 172.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propoxycyclohexyl)methanol is sourced from PubChem (CID 57067448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).