1-(3-cyclopropyloxyphenyl)-3,4,4-trimethylpentan-1-ol

C17H26O2 — CID 115838526

IUPAC1-(3-cyclopropyloxyphenyl)-3,4,4-trimethylpentan-1-ol
SMILESCC(CC(O)c1cccc(OC2CC2)c1)C(C)(C)C
InChIInChI=1S/C17H26O2/c1-12(17(2,3)4)10-16(18)13-6-5-7-15(11-13)19-14-8-9-14/h5-7,11-12,14,16,18H,8-10H2,1-4H3
InChIKeyYCPSWTPQBBOGGE-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.33
Rot. Bonds5

About 1-(3-cyclopropyloxyphenyl)-3,4,4-trimethylpentan-1-ol

1-(3-cyclopropyloxyphenyl)-3,4,4-trimethylpentan-1-ol (PubChem CID 115838526) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-3,4,4-trimethylpentan-1-ol.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-3,4,4-trimethylpentan-1-ol
PubChem CID115838526
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-(3-cyclopropyloxyphenyl)-3,4,4-trimethylpentan-1-ol
SMILESCC(CC(O)c1cccc(OC2CC2)c1)C(C)(C)C
InChIInChI=1S/C17H26O2/c1-12(17(2,3)4)10-16(18)13-6-5-7-15(11-13)19-14-8-9-14/h5-7,11-12,14,16,18H,8-10H2,1-4H3
InChIKeyYCPSWTPQBBOGGE-UHFFFAOYSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexan-1-ol
CID 115838493
1-(3-cyclopropyloxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105131484
1-(3-cyclopropyloxyphenyl)-2-(4-methylphenyl)ethanol
CID 114521316
1-(3-cyclopropyloxyphenyl)-4-ethoxybutan-1-ol
CID 105131562
1-(3-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114521314
[1-(3-cyclopropyloxyphenyl)-3-methylbutyl]hydrazine
CID 105199146
1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103170310
1-(3-cyclopropyloxyphenyl)-3-propoxypropan-1-ol
CID 105131518
[1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexyl]hydrazine
CID 105341096
2-(methylamino)-1-[3-(oxan-4-yloxy)phenyl]ethanol
CID 115005110
2-amino-1-(3-cyclohexyloxyphenyl)ethanol
CID 83824323
tert-butyl 2-(3-cyclopropyloxyphenyl)propanoate
CID 114522678

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-3,4,4-trimethylpentan-1-ol?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-3,4,4-trimethylpentan-1-ol (CID 115838526) is 1-(3-cyclopropyloxyphenyl)-3,4,4-trimethylpentan-1-ol.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-3,4,4-trimethylpentan-1-ol?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-3,4,4-trimethylpentan-1-ol is CC(CC(O)c1cccc(OC2CC2)c1)C(C)(C)C.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-3,4,4-trimethylpentan-1-ol?
The InChIKey is YCPSWTPQBBOGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-12(17(2,3)4)10-16(18)13-6-5-7-15(11-13)19-14-8-9-14/h5-7,11-12,14,16,18H,8-10H2,1-4H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-3,4,4-trimethylpentan-1-ol?
1-(3-cyclopropyloxyphenyl)-3,4,4-trimethylpentan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-3,4,4-trimethylpentan-1-ol is sourced from PubChem (CID 115838526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).