2-(3-hydroxypropyl)-6-(methoxymethyl)phenol

C11H16O3 — CID 117286238

IUPAC2-(3-hydroxypropyl)-6-(methoxymethyl)phenol
SMILESCOCc1cccc(CCCO)c1O
InChIInChI=1S/C11H16O3/c1-14-8-10-5-2-4-9(11(10)13)6-3-7-12/h2,4-5,12-13H,3,6-8H2,1H3
InChIKeyHWZXEZBAXFAEHU-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.46
Rot. Bonds5

About 2-(3-hydroxypropyl)-6-(methoxymethyl)phenol

2-(3-hydroxypropyl)-6-(methoxymethyl)phenol (PubChem CID 117286238) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-6-(methoxymethyl)phenol.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-6-(methoxymethyl)phenol
PubChem CID117286238
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-(3-hydroxypropyl)-6-(methoxymethyl)phenol
SMILESCOCc1cccc(CCCO)c1O
InChIInChI=1S/C11H16O3/c1-14-8-10-5-2-4-9(11(10)13)6-3-7-12/h2,4-5,12-13H,3,6-8H2,1H3
InChIKeyHWZXEZBAXFAEHU-UHFFFAOYSA-N
XLogP1.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methoxymethyl)-6-[2-(methylamino)ethyl]phenol
CID 83879381
3-[3-(methoxymethyl)phenyl]propan-1-ol
CID 117278462
N'-hydroxy-2-[2-hydroxy-3-(methoxymethyl)phenyl]ethanimidamide
CID 83884936
2-ethyl-3-(3-hydroxypropyl)phenol
CID 123721152
6-(3-hydroxypropyl)-2-methoxy-3-methylphenol
CID 117286250
2-(2-hydroxyethyl)-6-(hydroxymethyl)phenol
CID 117276602
3-(3-hydroxypropyl)-6-methylbenzene-1,2-diol
CID 117279140
2,6-bis(4,4-dimethylpentyl)phenol
CID 170103636
3-fluoro-6-(3-hydroxypropyl)-2-methoxyphenol
CID 117289242
2-(1-aminopropan-2-yl)-6-(methoxymethyl)phenol
CID 83879383
3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-ol
CID 117400911
2-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol
CID 101275830

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-6-(methoxymethyl)phenol?
The IUPAC name of 2-(3-hydroxypropyl)-6-(methoxymethyl)phenol (CID 117286238) is 2-(3-hydroxypropyl)-6-(methoxymethyl)phenol.
What is the SMILES notation for 2-(3-hydroxypropyl)-6-(methoxymethyl)phenol?
The canonical SMILES for 2-(3-hydroxypropyl)-6-(methoxymethyl)phenol is COCc1cccc(CCCO)c1O.
What is the InChIKey of 2-(3-hydroxypropyl)-6-(methoxymethyl)phenol?
The InChIKey is HWZXEZBAXFAEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-14-8-10-5-2-4-9(11(10)13)6-3-7-12/h2,4-5,12-13H,3,6-8H2,1H3.
What are the key properties of 2-(3-hydroxypropyl)-6-(methoxymethyl)phenol?
2-(3-hydroxypropyl)-6-(methoxymethyl)phenol has a molecular weight of 196.25 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-6-(methoxymethyl)phenol is sourced from PubChem (CID 117286238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).