2-methyl-3-[1-(4-prop-1-en-2-ylphenyl)cyclopentyl]oxybutan-2-ol

C19H28O2 — CID 129119000

IUPAC2-methyl-3-[1-(4-prop-1-en-2-ylphenyl)cyclopentyl]oxybutan-2-ol
SMILESC=C(C)c1ccc(C2(OC(C)C(C)(C)O)CCCC2)cc1
InChIInChI=1S/C19H28O2/c1-14(2)16-8-10-17(11-9-16)19(12-6-7-13-19)21-15(3)18(4,5)20/h8-11,15,20H,1,6-7,12-13H2,2-5H3
InChIKeyYDOHNVJFNZPZTK-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.66
Rot. Bonds5

About 2-methyl-3-[1-(4-prop-1-en-2-ylphenyl)cyclopentyl]oxybutan-2-ol

2-methyl-3-[1-(4-prop-1-en-2-ylphenyl)cyclopentyl]oxybutan-2-ol (PubChem CID 129119000) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-methyl-3-[1-(4-prop-1-en-2-ylphenyl)cyclopentyl]oxybutan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[1-(4-prop-1-en-2-ylphenyl)cyclopentyl]oxybutan-2-ol
PubChem CID129119000
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name2-methyl-3-[1-(4-prop-1-en-2-ylphenyl)cyclopentyl]oxybutan-2-ol
SMILESC=C(C)c1ccc(C2(OC(C)C(C)(C)O)CCCC2)cc1
InChIInChI=1S/C19H28O2/c1-14(2)16-8-10-17(11-9-16)19(12-6-7-13-19)21-15(3)18(4,5)20/h8-11,15,20H,1,6-7,12-13H2,2-5H3
InChIKeyYDOHNVJFNZPZTK-UHFFFAOYSA-N
XLogP4.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(4-prop-1-en-2-ylphenyl)cyclopentyl]oxybutan-2-ol?
The IUPAC name of 2-methyl-3-[1-(4-prop-1-en-2-ylphenyl)cyclopentyl]oxybutan-2-ol (CID 129119000) is 2-methyl-3-[1-(4-prop-1-en-2-ylphenyl)cyclopentyl]oxybutan-2-ol.
What is the SMILES notation for 2-methyl-3-[1-(4-prop-1-en-2-ylphenyl)cyclopentyl]oxybutan-2-ol?
The canonical SMILES for 2-methyl-3-[1-(4-prop-1-en-2-ylphenyl)cyclopentyl]oxybutan-2-ol is C=C(C)c1ccc(C2(OC(C)C(C)(C)O)CCCC2)cc1.
What is the InChIKey of 2-methyl-3-[1-(4-prop-1-en-2-ylphenyl)cyclopentyl]oxybutan-2-ol?
The InChIKey is YDOHNVJFNZPZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-14(2)16-8-10-17(11-9-16)19(12-6-7-13-19)21-15(3)18(4,5)20/h8-11,15,20H,1,6-7,12-13H2,2-5H3.
What are the key properties of 2-methyl-3-[1-(4-prop-1-en-2-ylphenyl)cyclopentyl]oxybutan-2-ol?
2-methyl-3-[1-(4-prop-1-en-2-ylphenyl)cyclopentyl]oxybutan-2-ol has a molecular weight of 288.43 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(4-prop-1-en-2-ylphenyl)cyclopentyl]oxybutan-2-ol is sourced from PubChem (CID 129119000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).