1-(4-propoxyphenoxy)pentan-2-ol

C14H22O3 — CID 62041723

IUPAC1-(4-propoxyphenoxy)pentan-2-ol
SMILESCCCOc1ccc(OCC(O)CCC)cc1
InChIInChI=1S/C14H22O3/c1-3-5-12(15)11-17-14-8-6-13(7-9-14)16-10-4-2/h6-9,12,15H,3-5,10-11H2,1-2H3
InChIKeyVLVVPIGKFHMCLE-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.02
Rot. Bonds8

About 1-(4-propoxyphenoxy)pentan-2-ol

1-(4-propoxyphenoxy)pentan-2-ol (PubChem CID 62041723) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(4-propoxyphenoxy)pentan-2-ol.

Molecular Properties

Compound Name1-(4-propoxyphenoxy)pentan-2-ol
PubChem CID62041723
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-(4-propoxyphenoxy)pentan-2-ol
SMILESCCCOc1ccc(OCC(O)CCC)cc1
InChIInChI=1S/C14H22O3/c1-3-5-12(15)11-17-14-8-6-13(7-9-14)16-10-4-2/h6-9,12,15H,3-5,10-11H2,1-2H3
InChIKeyVLVVPIGKFHMCLE-UHFFFAOYSA-N
XLogP3.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241736
1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol
CID 71211206
(3R)-1-phenoxyhexan-3-ol
CID 102063151
3-amino-4-(4-propoxyphenoxy)butan-1-ol
CID 64899439
1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol
CID 65449830
1-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-2-ol
CID 62042802
1-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-ol
CID 62041508
(2R)-1-butoxy-3-phenoxypropan-2-ol
CID 36688222
1-(4-methoxyphenoxy)tetradecan-2-ol
CID 59993706
4-[3-(4-decoxyphenoxy)-2-hydroxypropoxy]butan-1-ol
CID 10960272
1-(1,3-benzodioxol-5-yloxy)pentan-2-ol
CID 62041506
1-phenoxyheptan-2-ol
CID 12731443

Frequently Asked Questions

What is the IUPAC name of 1-(4-propoxyphenoxy)pentan-2-ol?
The IUPAC name of 1-(4-propoxyphenoxy)pentan-2-ol (CID 62041723) is 1-(4-propoxyphenoxy)pentan-2-ol.
What is the SMILES notation for 1-(4-propoxyphenoxy)pentan-2-ol?
The canonical SMILES for 1-(4-propoxyphenoxy)pentan-2-ol is CCCOc1ccc(OCC(O)CCC)cc1.
What is the InChIKey of 1-(4-propoxyphenoxy)pentan-2-ol?
The InChIKey is VLVVPIGKFHMCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-3-5-12(15)11-17-14-8-6-13(7-9-14)16-10-4-2/h6-9,12,15H,3-5,10-11H2,1-2H3.
What are the key properties of 1-(4-propoxyphenoxy)pentan-2-ol?
1-(4-propoxyphenoxy)pentan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propoxyphenoxy)pentan-2-ol is sourced from PubChem (CID 62041723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).