1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexan-1-ol

C18H28O2 — CID 115838493

IUPAC1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexan-1-ol
SMILESCC(CC(O)c1cccc(OC2CC2)c1)CC(C)(C)C
InChIInChI=1S/C18H28O2/c1-13(12-18(2,3)4)10-17(19)14-6-5-7-16(11-14)20-15-8-9-15/h5-7,11,13,15,17,19H,8-10,12H2,1-4H3
InChIKeyVAWSOSVKYTUZOQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.72
Rot. Bonds6

About 1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexan-1-ol

1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexan-1-ol (PubChem CID 115838493) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexan-1-ol.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexan-1-ol
PubChem CID115838493
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexan-1-ol
SMILESCC(CC(O)c1cccc(OC2CC2)c1)CC(C)(C)C
InChIInChI=1S/C18H28O2/c1-13(12-18(2,3)4)10-17(19)14-6-5-7-16(11-14)20-15-8-9-15/h5-7,11,13,15,17,19H,8-10,12H2,1-4H3
InChIKeyVAWSOSVKYTUZOQ-UHFFFAOYSA-N
XLogP4.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexyl]hydrazine
CID 105341096
1-(3-cyclopropyloxyphenyl)-3,4,4-trimethylpentan-1-ol
CID 115838526
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
tert-butyl 2-(3-cyclopropyloxyphenyl)propanoate
CID 114522678
[1-(3-cyclopropyloxyphenyl)-3-methylbutyl]hydrazine
CID 105199146
3,5,5-trimethyl-1-(3-propylphenyl)hexan-1-ol
CID 115838115
1-(3-cyclopropyloxyphenyl)-3-propoxypropan-1-ol
CID 105131518
1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103170310
2-amino-1-(3-cyclohexyloxyphenyl)ethanol
CID 83824323

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexan-1-ol?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexan-1-ol (CID 115838493) is 1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexan-1-ol.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexan-1-ol?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexan-1-ol is CC(CC(O)c1cccc(OC2CC2)c1)CC(C)(C)C.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexan-1-ol?
The InChIKey is VAWSOSVKYTUZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-13(12-18(2,3)4)10-17(19)14-6-5-7-16(11-14)20-15-8-9-15/h5-7,11,13,15,17,19H,8-10,12H2,1-4H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexan-1-ol?
1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexan-1-ol is sourced from PubChem (CID 115838493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).