2-methyl-1-(4-phenyloxan-4-yl)pentan-1-ol

C17H26O2 — CID 107892891

IUPAC2-methyl-1-(4-phenyloxan-4-yl)pentan-1-ol
SMILESCCCC(C)C(O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C17H26O2/c1-3-7-14(2)16(18)17(10-12-19-13-11-17)15-8-5-4-6-9-15/h4-6,8-9,14,16,18H,3,7,10-13H2,1-2H3
InChIKeyHLMBMXOBQAXSTG-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.53
Rot. Bonds5

About 2-methyl-1-(4-phenyloxan-4-yl)pentan-1-ol

2-methyl-1-(4-phenyloxan-4-yl)pentan-1-ol (PubChem CID 107892891) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-methyl-1-(4-phenyloxan-4-yl)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(4-phenyloxan-4-yl)pentan-1-ol
PubChem CID107892891
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-methyl-1-(4-phenyloxan-4-yl)pentan-1-ol
SMILESCCCC(C)C(O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C17H26O2/c1-3-7-14(2)16(18)17(10-12-19-13-11-17)15-8-5-4-6-9-15/h4-6,8-9,14,16,18H,3,7,10-13H2,1-2H3
InChIKeyHLMBMXOBQAXSTG-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-phenyloxan-4-yl)pentan-1-ol?
The IUPAC name of 2-methyl-1-(4-phenyloxan-4-yl)pentan-1-ol (CID 107892891) is 2-methyl-1-(4-phenyloxan-4-yl)pentan-1-ol.
What is the SMILES notation for 2-methyl-1-(4-phenyloxan-4-yl)pentan-1-ol?
The canonical SMILES for 2-methyl-1-(4-phenyloxan-4-yl)pentan-1-ol is CCCC(C)C(O)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 2-methyl-1-(4-phenyloxan-4-yl)pentan-1-ol?
The InChIKey is HLMBMXOBQAXSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-3-7-14(2)16(18)17(10-12-19-13-11-17)15-8-5-4-6-9-15/h4-6,8-9,14,16,18H,3,7,10-13H2,1-2H3.
What are the key properties of 2-methyl-1-(4-phenyloxan-4-yl)pentan-1-ol?
2-methyl-1-(4-phenyloxan-4-yl)pentan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-phenyloxan-4-yl)pentan-1-ol is sourced from PubChem (CID 107892891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).