1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol

C18H22O3 — CID 115996062

IUPAC1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol
SMILESCCCOc1ccccc1Oc1ccccc1C(O)CC
InChIInChI=1S/C18H22O3/c1-3-13-20-17-11-7-8-12-18(17)21-16-10-6-5-9-14(16)15(19)4-2/h5-12,15,19H,3-4,13H2,1-2H3
InChIKeyGDJYRTFWSVCCHZ-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.71
Rot. Bonds7

About 1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol

1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol (PubChem CID 115996062) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol
PubChem CID115996062
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol
SMILESCCCOc1ccccc1Oc1ccccc1C(O)CC
InChIInChI=1S/C18H22O3/c1-3-13-20-17-11-7-8-12-18(17)21-16-10-6-5-9-14(16)15(19)4-2/h5-12,15,19H,3-4,13H2,1-2H3
InChIKeyGDJYRTFWSVCCHZ-UHFFFAOYSA-N
XLogP4.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-hexoxyphenyl)propan-1-ol
CID 78930140
1-(2-heptoxyphenyl)propan-1-ol
CID 43503487
(1S)-1-(2-heptoxyphenyl)propan-1-ol
CID 78944609
(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol
CID 103960501
1-(2-propoxyphenyl)ethanol
CID 43503976
5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol
CID 78931048
1-(2-propoxyphenyl)heptan-1-ol
CID 113438141
(1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol
CID 113359072
(1R)-1-[2-(4-ethoxyphenoxy)phenyl]propan-1-ol
CID 103960453
(1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol
CID 104893874
(1R)-1-[2-(3-ethylsulfonylpropoxy)phenyl]propan-1-ol
CID 65098384
(1S)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242449

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol?
The IUPAC name of 1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol (CID 115996062) is 1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol.
What is the SMILES notation for 1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol?
The canonical SMILES for 1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol is CCCOc1ccccc1Oc1ccccc1C(O)CC.
What is the InChIKey of 1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol?
The InChIKey is GDJYRTFWSVCCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-3-13-20-17-11-7-8-12-18(17)21-16-10-6-5-9-14(16)15(19)4-2/h5-12,15,19H,3-4,13H2,1-2H3.
What are the key properties of 1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol?
1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol has a molecular weight of 286.37 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol is sourced from PubChem (CID 115996062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).