1-(3-propoxyphenyl)pentan-1-ol

C14H22O2 — CID 65145757

IUPAC1-(3-propoxyphenyl)pentan-1-ol
SMILESCCCCC(O)c1cccc(OCCC)c1
InChIInChI=1S/C14H22O2/c1-3-5-9-14(15)12-7-6-8-13(11-12)16-10-4-2/h6-8,11,14-15H,3-5,9-10H2,1-2H3
InChIKeyPHXIUHBPDOYPDN-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.70
Rot. Bonds7

About 1-(3-propoxyphenyl)pentan-1-ol

1-(3-propoxyphenyl)pentan-1-ol (PubChem CID 65145757) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(3-propoxyphenyl)pentan-1-ol.

Molecular Properties

Compound Name1-(3-propoxyphenyl)pentan-1-ol
PubChem CID65145757
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(3-propoxyphenyl)pentan-1-ol
SMILESCCCCC(O)c1cccc(OCCC)c1
InChIInChI=1S/C14H22O2/c1-3-5-9-14(15)12-7-6-8-13(11-12)16-10-4-2/h6-8,11,14-15H,3-5,9-10H2,1-2H3
InChIKeyPHXIUHBPDOYPDN-UHFFFAOYSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
1-(3-butoxyphenyl)propan-1-ol
CID 83953800
3-amino-1-(3-octoxyphenyl)propan-1-ol
CID 130373075
2-ethoxy-1-(3-propoxyphenyl)ethanol
CID 79567661
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
1-(3-propoxyphenyl)-3-thiophen-2-ylpropan-1-ol
CID 65146129
3,3,4,4,4-pentafluoro-1-(3-propoxyphenyl)butan-1-ol
CID 156764220
2-(ethylamino)-1-(3-octadecoxyphenyl)ethanol
CID 21413933
2-cyclopentyl-1-(3-propoxyphenyl)ethanol
CID 65146182
2-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol
CID 66039535
2-(3-butoxyphenyl)-2-hydroxyacetonitrile
CID 162514765
1-(3-methoxyphenyl)butan-1-ol
CID 2793894

Frequently Asked Questions

What is the IUPAC name of 1-(3-propoxyphenyl)pentan-1-ol?
The IUPAC name of 1-(3-propoxyphenyl)pentan-1-ol (CID 65145757) is 1-(3-propoxyphenyl)pentan-1-ol.
What is the SMILES notation for 1-(3-propoxyphenyl)pentan-1-ol?
The canonical SMILES for 1-(3-propoxyphenyl)pentan-1-ol is CCCCC(O)c1cccc(OCCC)c1.
What is the InChIKey of 1-(3-propoxyphenyl)pentan-1-ol?
The InChIKey is PHXIUHBPDOYPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-5-9-14(15)12-7-6-8-13(11-12)16-10-4-2/h6-8,11,14-15H,3-5,9-10H2,1-2H3.
What are the key properties of 1-(3-propoxyphenyl)pentan-1-ol?
1-(3-propoxyphenyl)pentan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propoxyphenyl)pentan-1-ol is sourced from PubChem (CID 65145757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).