2-(3,4-dipropoxyphenyl)pentan-3-ol

C17H28O3 — CID 79298154

IUPAC2-(3,4-dipropoxyphenyl)pentan-3-ol
SMILESCCCOc1ccc(C(C)C(O)CC)cc1OCCC
InChIInChI=1S/C17H28O3/c1-5-10-19-16-9-8-14(13(4)15(18)7-3)12-17(16)20-11-6-2/h8-9,12-13,15,18H,5-7,10-11H2,1-4H3
InChIKeyDUILAPIXEIQPRM-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.14
Rot. Bonds9

About 2-(3,4-dipropoxyphenyl)pentan-3-ol

2-(3,4-dipropoxyphenyl)pentan-3-ol (PubChem CID 79298154) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-(3,4-dipropoxyphenyl)pentan-3-ol.

Molecular Properties

Compound Name2-(3,4-dipropoxyphenyl)pentan-3-ol
PubChem CID79298154
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name2-(3,4-dipropoxyphenyl)pentan-3-ol
SMILESCCCOc1ccc(C(C)C(O)CC)cc1OCCC
InChIInChI=1S/C17H28O3/c1-5-10-19-16-9-8-14(13(4)15(18)7-3)12-17(16)20-11-6-2/h8-9,12-13,15,18H,5-7,10-11H2,1-4H3
InChIKeyDUILAPIXEIQPRM-UHFFFAOYSA-N
XLogP4.14
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-nitro-3-propoxyphenyl)pentan-3-ol
CID 55233757
2-(3,4-dipropoxyphenyl)-4-methylpentan-3-amine
CID 79304005
3-(3,4-dipropoxyphenyl)-N-methylbutan-2-amine
CID 66436778
2-(3,4-dipropoxyphenyl)-4-methylpentan-3-one
CID 79304001
4-(1-bromo-2-methylpropyl)-1,2-dipropoxybenzene
CID 63440244
N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
CID 43108101
(2R)-2-[1-(3,4-dipropoxyphenyl)ethylamino]propan-1-ol
CID 114987094
4-(1-bromo-2-ethylbutyl)-1,2-dipropoxybenzene
CID 63440246
4-(1-bromo-2-methylpentyl)-1,2-dipropoxybenzene
CID 63440249
4-(1-bromo-2,2-dimethylpropyl)-1,2-dipropoxybenzene
CID 63440204
(1S)-1-(4-fluoro-3-propoxyphenyl)ethanol
CID 97294393
1-(3,4-dipentoxyphenyl)pentan-1-ol
CID 54470953

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dipropoxyphenyl)pentan-3-ol?
The IUPAC name of 2-(3,4-dipropoxyphenyl)pentan-3-ol (CID 79298154) is 2-(3,4-dipropoxyphenyl)pentan-3-ol.
What is the SMILES notation for 2-(3,4-dipropoxyphenyl)pentan-3-ol?
The canonical SMILES for 2-(3,4-dipropoxyphenyl)pentan-3-ol is CCCOc1ccc(C(C)C(O)CC)cc1OCCC.
What is the InChIKey of 2-(3,4-dipropoxyphenyl)pentan-3-ol?
The InChIKey is DUILAPIXEIQPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-5-10-19-16-9-8-14(13(4)15(18)7-3)12-17(16)20-11-6-2/h8-9,12-13,15,18H,5-7,10-11H2,1-4H3.
What are the key properties of 2-(3,4-dipropoxyphenyl)pentan-3-ol?
2-(3,4-dipropoxyphenyl)pentan-3-ol has a molecular weight of 280.41 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dipropoxyphenyl)pentan-3-ol is sourced from PubChem (CID 79298154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).