2-ethyl-3-(3-hydroxypropyl)phenol

C11H16O2 — CID 123721152

IUPAC2-ethyl-3-(3-hydroxypropyl)phenol
SMILESCCc1c(O)cccc1CCCO
InChIInChI=1S/C11H16O2/c1-2-10-9(6-4-8-12)5-3-7-11(10)13/h3,5,7,12-13H,2,4,6,8H2,1H3
InChIKeyHEBMBXOPPIOBPT-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.88
Rot. Bonds4

About 2-ethyl-3-(3-hydroxypropyl)phenol

2-ethyl-3-(3-hydroxypropyl)phenol (PubChem CID 123721152) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-ethyl-3-(3-hydroxypropyl)phenol.

Molecular Properties

Compound Name2-ethyl-3-(3-hydroxypropyl)phenol
PubChem CID123721152
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-ethyl-3-(3-hydroxypropyl)phenol
SMILESCCc1c(O)cccc1CCCO
InChIInChI=1S/C11H16O2/c1-2-10-9(6-4-8-12)5-3-7-11(10)13/h3,5,7,12-13H,2,4,6,8H2,1H3
InChIKeyHEBMBXOPPIOBPT-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-3-(3-hydroxypropyl)benzoic acid
CID 54146728
2-(hydroxymethyl)-3-icosylphenol
CID 54519550
2,3-di(nonadecyl)phenol
CID 151687635
1,3-dibutyl-2-ethylbenzene
CID 22713046
3-butyl-2-hexylphenol
CID 66867063
2-butyl-3-hexylphenol
CID 141346396
CID 54443058
CID 54443058
carbamic acid;2,3-diethylphenol;methanamine
CID 174684713
3-dodecyl-2-nonylphenol;phosphorous acid
CID 71149565
2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol
CID 159775903
3-ethyl-2-octylphenol
CID 66867297
2-nonylphenol;pentan-1-ol
CID 70367302

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(3-hydroxypropyl)phenol?
The IUPAC name of 2-ethyl-3-(3-hydroxypropyl)phenol (CID 123721152) is 2-ethyl-3-(3-hydroxypropyl)phenol.
What is the SMILES notation for 2-ethyl-3-(3-hydroxypropyl)phenol?
The canonical SMILES for 2-ethyl-3-(3-hydroxypropyl)phenol is CCc1c(O)cccc1CCCO.
What is the InChIKey of 2-ethyl-3-(3-hydroxypropyl)phenol?
The InChIKey is HEBMBXOPPIOBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-10-9(6-4-8-12)5-3-7-11(10)13/h3,5,7,12-13H,2,4,6,8H2,1H3.
What are the key properties of 2-ethyl-3-(3-hydroxypropyl)phenol?
2-ethyl-3-(3-hydroxypropyl)phenol has a molecular weight of 180.25 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(3-hydroxypropyl)phenol is sourced from PubChem (CID 123721152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).