1-[4-(3-hydroxypropyl)phenoxy]-5-methylhexan-2-ol

C16H26O3 — CID 147897261

IUPAC1-[4-(3-hydroxypropyl)phenoxy]-5-methylhexan-2-ol
SMILESCC(C)CCC(O)COc1ccc(CCCO)cc1
InChIInChI=1S/C16H26O3/c1-13(2)5-8-15(18)12-19-16-9-6-14(7-10-16)4-3-11-17/h6-7,9-10,13,15,17-18H,3-5,8,11-12H2,1-2H3
InChIKeyIDNZWEUJKVQELZ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.79
Rot. Bonds9

About 1-[4-(3-hydroxypropyl)phenoxy]-5-methylhexan-2-ol

1-[4-(3-hydroxypropyl)phenoxy]-5-methylhexan-2-ol (PubChem CID 147897261) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[4-(3-hydroxypropyl)phenoxy]-5-methylhexan-2-ol.

Molecular Properties

Compound Name1-[4-(3-hydroxypropyl)phenoxy]-5-methylhexan-2-ol
PubChem CID147897261
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name1-[4-(3-hydroxypropyl)phenoxy]-5-methylhexan-2-ol
SMILESCC(C)CCC(O)COc1ccc(CCCO)cc1
InChIInChI=1S/C16H26O3/c1-13(2)5-8-15(18)12-19-16-9-6-14(7-10-16)4-3-11-17/h6-7,9-10,13,15,17-18H,3-5,8,11-12H2,1-2H3
InChIKeyIDNZWEUJKVQELZ-UHFFFAOYSA-N
XLogP2.79
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(4-butylphenoxy)propan-2-ol
CID 142296403
(2R)-3-(4-pentadecylphenoxy)propane-1,2-diol
CID 95907091
1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 10587787
copper;3-(4-propan-2-yloxyphenyl)propan-1-ol
CID 70633990
1-(4-pentylphenoxy)propan-2-ol
CID 142276328
3-[4-[4-(3-hydroxypropyl)phenoxy]butoxy]-2-methyl-6-(3-methylbutyl)phenol
CID 69403005
1-[1-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-3-(4-octylphenoxy)propan-2-ol
CID 68605102
14-phenoxytetradecane-1,13-diol
CID 123918890
4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol
CID 43504158
1-(4-ethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60745292
4-[4-(2-methylpropoxy)phenyl]butanoic acid
CID 82050407
(2S)-1-[4-(hydroxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 93481255

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-hydroxypropyl)phenoxy]-5-methylhexan-2-ol?
The IUPAC name of 1-[4-(3-hydroxypropyl)phenoxy]-5-methylhexan-2-ol (CID 147897261) is 1-[4-(3-hydroxypropyl)phenoxy]-5-methylhexan-2-ol.
What is the SMILES notation for 1-[4-(3-hydroxypropyl)phenoxy]-5-methylhexan-2-ol?
The canonical SMILES for 1-[4-(3-hydroxypropyl)phenoxy]-5-methylhexan-2-ol is CC(C)CCC(O)COc1ccc(CCCO)cc1.
What is the InChIKey of 1-[4-(3-hydroxypropyl)phenoxy]-5-methylhexan-2-ol?
The InChIKey is IDNZWEUJKVQELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-13(2)5-8-15(18)12-19-16-9-6-14(7-10-16)4-3-11-17/h6-7,9-10,13,15,17-18H,3-5,8,11-12H2,1-2H3.
What are the key properties of 1-[4-(3-hydroxypropyl)phenoxy]-5-methylhexan-2-ol?
1-[4-(3-hydroxypropyl)phenoxy]-5-methylhexan-2-ol has a molecular weight of 266.38 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-hydroxypropyl)phenoxy]-5-methylhexan-2-ol is sourced from PubChem (CID 147897261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).