3-(3,4-dipropoxyphenyl)-3-methylbutan-1-ol

C17H28O3 — CID 79837807

IUPAC3-(3,4-dipropoxyphenyl)-3-methylbutan-1-ol
SMILESCCCOc1ccc(C(C)(C)CCO)cc1OCCC
InChIInChI=1S/C17H28O3/c1-5-11-19-15-8-7-14(17(3,4)9-10-18)13-16(15)20-12-6-2/h7-8,13,18H,5-6,9-12H2,1-4H3
InChIKeyVHRQWGAAUGVKFG-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.92
Rot. Bonds9

About 3-(3,4-dipropoxyphenyl)-3-methylbutan-1-ol

3-(3,4-dipropoxyphenyl)-3-methylbutan-1-ol (PubChem CID 79837807) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-(3,4-dipropoxyphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-(3,4-dipropoxyphenyl)-3-methylbutan-1-ol
PubChem CID79837807
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name3-(3,4-dipropoxyphenyl)-3-methylbutan-1-ol
SMILESCCCOc1ccc(C(C)(C)CCO)cc1OCCC
InChIInChI=1S/C17H28O3/c1-5-11-19-15-8-7-14(17(3,4)9-10-18)13-16(15)20-12-6-2/h7-8,13,18H,5-6,9-12H2,1-4H3
InChIKeyVHRQWGAAUGVKFG-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dipropoxyphenyl)-2-(methylamino)propan-1-ol
CID 61056737
2-(3,4-dipropoxyphenyl)-1,1,1-trifluoropropan-2-amine
CID 63897713
2-amino-2-(3,4-dipropoxyphenyl)propanamide
CID 60795322
2-(3,4-dipropoxyphenyl)-1,1-difluoropropan-2-amine
CID 80605959
4-(4-chloro-2-methylbutan-2-yl)-1,2-diethoxybenzene
CID 79838006
2-[2,5-bis(2-methylbutan-2-yl)phenoxy]ethanol
CID 22501514
3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propan-1-ol
CID 18957392
2-(3,4-diethoxyphenyl)-2-methylpropan-1-amine
CID 81020856
2-chloro-4-(2-methylheptan-2-yl)-1-pentoxybenzene
CID 54425334
4-tert-butyl-1,2-bis(3-chloropropoxy)benzene
CID 13295778
5-(2-methylheptan-2-yl)-2-octoxybenzenesulfonic acid
CID 54274624
3,4-dipropoxybenzenethiol
CID 28939740

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dipropoxyphenyl)-3-methylbutan-1-ol?
The IUPAC name of 3-(3,4-dipropoxyphenyl)-3-methylbutan-1-ol (CID 79837807) is 3-(3,4-dipropoxyphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 3-(3,4-dipropoxyphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 3-(3,4-dipropoxyphenyl)-3-methylbutan-1-ol is CCCOc1ccc(C(C)(C)CCO)cc1OCCC.
What is the InChIKey of 3-(3,4-dipropoxyphenyl)-3-methylbutan-1-ol?
The InChIKey is VHRQWGAAUGVKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-5-11-19-15-8-7-14(17(3,4)9-10-18)13-16(15)20-12-6-2/h7-8,13,18H,5-6,9-12H2,1-4H3.
What are the key properties of 3-(3,4-dipropoxyphenyl)-3-methylbutan-1-ol?
3-(3,4-dipropoxyphenyl)-3-methylbutan-1-ol has a molecular weight of 280.41 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dipropoxyphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 79837807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).