3-(3-hydroxypentyl)phenol

C11H16O2 — CID 21193621

IUPAC3-(3-hydroxypentyl)phenol
SMILESCCC(O)CCc1cccc(O)c1
InChIInChI=1S/C11H16O2/c1-2-10(12)7-6-9-4-3-5-11(13)8-9/h3-5,8,10,12-13H,2,6-7H2,1H3
InChIKeyFMHMEHKDSORZSR-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.10
Rot. Bonds4

About 3-(3-hydroxypentyl)phenol

3-(3-hydroxypentyl)phenol (PubChem CID 21193621) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(3-hydroxypentyl)phenol.

Molecular Properties

Compound Name3-(3-hydroxypentyl)phenol
PubChem CID21193621
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3-(3-hydroxypentyl)phenol
SMILESCCC(O)CCc1cccc(O)c1
InChIInChI=1S/C11H16O2/c1-2-10(12)7-6-9-4-3-5-11(13)8-9/h3-5,8,10,12-13H,2,6-7H2,1H3
InChIKeyFMHMEHKDSORZSR-UHFFFAOYSA-N
XLogP2.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-hydroxy-4-(methylamino)butyl]phenol
CID 174708879
3-(3-fluorobutyl)phenol
CID 84653086
3-(3-hydroxypentyl)benzoic acid
CID 174536442
1-[3,5-bis(3-hydroxypentyl)phenyl]pentan-3-ol
CID 22239510
4-(3-hydroxyphenyl)butan-2-yl-trimethylazanium iodide
CID 3026690
3-[4-amino-3-(aminomethyl)butyl]phenol
CID 83930255
6-(3-methylphenyl)hexan-3-ol
CID 64513249
6-(3-fluorophenyl)hexan-3-ol
CID 64515590
phenol;3-propylphenol
CID 66960022
3-octacosylphenol
CID 101292719
3-hentriacontylphenol
CID 101292722
3-(3-hydroxy-2-methylpentyl)phenol
CID 19426978

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypentyl)phenol?
The IUPAC name of 3-(3-hydroxypentyl)phenol (CID 21193621) is 3-(3-hydroxypentyl)phenol.
What is the SMILES notation for 3-(3-hydroxypentyl)phenol?
The canonical SMILES for 3-(3-hydroxypentyl)phenol is CCC(O)CCc1cccc(O)c1.
What is the InChIKey of 3-(3-hydroxypentyl)phenol?
The InChIKey is FMHMEHKDSORZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-10(12)7-6-9-4-3-5-11(13)8-9/h3-5,8,10,12-13H,2,6-7H2,1H3.
What are the key properties of 3-(3-hydroxypentyl)phenol?
3-(3-hydroxypentyl)phenol has a molecular weight of 180.25 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypentyl)phenol is sourced from PubChem (CID 21193621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).