2-(3-hydroxypropyl)-3-propan-2-yloxyphenol

C12H18O3 — CID 117300578

IUPAC2-(3-hydroxypropyl)-3-propan-2-yloxyphenol
SMILESCC(C)Oc1cccc(O)c1CCCO
InChIInChI=1S/C12H18O3/c1-9(2)15-12-7-3-6-11(14)10(12)5-4-8-13/h3,6-7,9,13-14H,4-5,8H2,1-2H3
InChIKeySOUGHENVMWWORO-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.10
Rot. Bonds5

About 2-(3-hydroxypropyl)-3-propan-2-yloxyphenol

2-(3-hydroxypropyl)-3-propan-2-yloxyphenol (PubChem CID 117300578) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-3-propan-2-yloxyphenol.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-3-propan-2-yloxyphenol
PubChem CID117300578
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-(3-hydroxypropyl)-3-propan-2-yloxyphenol
SMILESCC(C)Oc1cccc(O)c1CCCO
InChIInChI=1S/C12H18O3/c1-9(2)15-12-7-3-6-11(14)10(12)5-4-8-13/h3,6-7,9,13-14H,4-5,8H2,1-2H3
InChIKeySOUGHENVMWWORO-UHFFFAOYSA-N
XLogP2.10
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methyl-6-propan-2-yloxyphenyl)butan-1-amine
CID 117317050
2-(1-amino-2-hydroxyethyl)-3-propan-2-yloxyphenol
CID 84678506
3-methoxy-2-(3-methylbutyl)phenol
CID 141105088
3-ethyl-2-methyl-4-propan-2-yloxyphenol
CID 162375077
2-ethyl-3-(3-hydroxypropyl)phenol
CID 123721152
2-(6-hydroxyhexan-2-yloxy)phenol
CID 175541429
2-ethyl-1-propan-2-yloxy-3-prop-1-enylbenzene
CID 90838901
copper;3-(4-propan-2-yloxyphenyl)propan-1-ol
CID 70633990
ethyl 3-(2-amino-6-propan-2-yloxyphenyl)propanoate
CID 174461340
4-(2-nitro-3-propan-2-yloxyanilino)butan-1-ol
CID 106842771
(2-ethyl-3-propan-2-yloxyphenyl) acetate
CID 151326278
2-(2-methoxy-6-propan-2-yloxyphenyl)-N-methylethanamine
CID 117320466

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-3-propan-2-yloxyphenol?
The IUPAC name of 2-(3-hydroxypropyl)-3-propan-2-yloxyphenol (CID 117300578) is 2-(3-hydroxypropyl)-3-propan-2-yloxyphenol.
What is the SMILES notation for 2-(3-hydroxypropyl)-3-propan-2-yloxyphenol?
The canonical SMILES for 2-(3-hydroxypropyl)-3-propan-2-yloxyphenol is CC(C)Oc1cccc(O)c1CCCO.
What is the InChIKey of 2-(3-hydroxypropyl)-3-propan-2-yloxyphenol?
The InChIKey is SOUGHENVMWWORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-9(2)15-12-7-3-6-11(14)10(12)5-4-8-13/h3,6-7,9,13-14H,4-5,8H2,1-2H3.
What are the key properties of 2-(3-hydroxypropyl)-3-propan-2-yloxyphenol?
2-(3-hydroxypropyl)-3-propan-2-yloxyphenol has a molecular weight of 210.27 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-3-propan-2-yloxyphenol is sourced from PubChem (CID 117300578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).