3-(2-cyclohexyl-3-hydroxypropoxy)phenol

C15H22O3 — CID 117245989

IUPAC3-(2-cyclohexyl-3-hydroxypropoxy)phenol
SMILESOCC(COc1cccc(O)c1)C1CCCCC1
InChIInChI=1S/C15H22O3/c16-10-13(12-5-2-1-3-6-12)11-18-15-8-4-7-14(17)9-15/h4,7-9,12-13,16-17H,1-3,5-6,10-11H2
InChIKeyHQBMNYYLXRZMDN-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.96
Rot. Bonds5

About 3-(2-cyclohexyl-3-hydroxypropoxy)phenol

3-(2-cyclohexyl-3-hydroxypropoxy)phenol (PubChem CID 117245989) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(2-cyclohexyl-3-hydroxypropoxy)phenol.

Molecular Properties

Compound Name3-(2-cyclohexyl-3-hydroxypropoxy)phenol
PubChem CID117245989
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name3-(2-cyclohexyl-3-hydroxypropoxy)phenol
SMILESOCC(COc1cccc(O)c1)C1CCCCC1
InChIInChI=1S/C15H22O3/c16-10-13(12-5-2-1-3-6-12)11-18-15-8-4-7-14(17)9-15/h4,7-9,12-13,16-17H,1-3,5-6,10-11H2
InChIKeyHQBMNYYLXRZMDN-UHFFFAOYSA-N
XLogP2.96
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-amino-2-cyclohexylpropoxy)phenol
CID 117245987
3-[2-(1,1-dioxothian-4-yl)-3-hydroxypropoxy]phenol
CID 117239292
3-(2-cyclopentyl-2-hydroxyethoxy)phenol
CID 117245767
3-[3-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol
CID 117239349
3-(3-bromophenoxy)-2-cyclobutylpropan-1-ol
CID 117245651
2-cyclohexyl-3-pyridin-3-yloxypropan-1-ol
CID 117246006
3-(2-amino-2-cyclobutylethoxy)phenol
CID 117245581
2-(oxan-4-yl)-3-phenoxypropan-1-ol
CID 117239178
3-[3-amino-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol
CID 117239345
3-(3-methoxyphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
CID 117239350
3-[2-(hydroxymethyl)-3,3-dimethylbutoxy]phenol
CID 117242401
3-(3-methylphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237898

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexyl-3-hydroxypropoxy)phenol?
The IUPAC name of 3-(2-cyclohexyl-3-hydroxypropoxy)phenol (CID 117245989) is 3-(2-cyclohexyl-3-hydroxypropoxy)phenol.
What is the SMILES notation for 3-(2-cyclohexyl-3-hydroxypropoxy)phenol?
The canonical SMILES for 3-(2-cyclohexyl-3-hydroxypropoxy)phenol is OCC(COc1cccc(O)c1)C1CCCCC1.
What is the InChIKey of 3-(2-cyclohexyl-3-hydroxypropoxy)phenol?
The InChIKey is HQBMNYYLXRZMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c16-10-13(12-5-2-1-3-6-12)11-18-15-8-4-7-14(17)9-15/h4,7-9,12-13,16-17H,1-3,5-6,10-11H2.
What are the key properties of 3-(2-cyclohexyl-3-hydroxypropoxy)phenol?
3-(2-cyclohexyl-3-hydroxypropoxy)phenol has a molecular weight of 250.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexyl-3-hydroxypropoxy)phenol is sourced from PubChem (CID 117245989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).