2-(4-propylnonan-5-yl)phenol

C18H30O — CID 66866241

IUPAC2-(4-propylnonan-5-yl)phenol
SMILESCCCCC(c1ccccc1O)C(CCC)CCC
InChIInChI=1S/C18H30O/c1-4-7-12-16(15(10-5-2)11-6-3)17-13-8-9-14-18(17)19/h8-9,13-16,19H,4-7,10-12H2,1-3H3
InChIKeyZIPDTRQIGBKBJM-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.88
Rot. Bonds9

About 2-(4-propylnonan-5-yl)phenol

2-(4-propylnonan-5-yl)phenol (PubChem CID 66866241) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-(4-propylnonan-5-yl)phenol.

Molecular Properties

Compound Name2-(4-propylnonan-5-yl)phenol
PubChem CID66866241
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name2-(4-propylnonan-5-yl)phenol
SMILESCCCCC(c1ccccc1O)C(CCC)CCC
InChIInChI=1S/C18H30O/c1-4-7-12-16(15(10-5-2)11-6-3)17-13-8-9-14-18(17)19/h8-9,13-16,19H,4-7,10-12H2,1-3H3
InChIKeyZIPDTRQIGBKBJM-UHFFFAOYSA-N
XLogP5.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-propyldecan-5-yl)phenol
CID 66866099
2-(6-propylpentadecan-7-yl)phenol
CID 66865581
2-(4-ethyldecan-5-yl)phenol
CID 66865491
2-(9-heptylhenicosan-10-yl)phenol
CID 66867451
2-(10-octyldocosan-11-yl)phenol
CID 66866246
2-(8-ethyloctadecan-9-yl)phenol
CID 66884057
2-(9-ethylnonadecan-10-yl)phenol
CID 66866219
2-(4-methyldodecan-5-yl)phenol
CID 66867527
2-(2-methyltetradecan-3-yl)phenol
CID 66867142
2-(1-phenylpentyl)phenol
CID 19601156
2-pentadecan-6-ylphenol
CID 66865451
tributyl-[3-(2-hydroxyphenyl)butyl]phosphanium
CID 154932101

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylnonan-5-yl)phenol?
The IUPAC name of 2-(4-propylnonan-5-yl)phenol (CID 66866241) is 2-(4-propylnonan-5-yl)phenol.
What is the SMILES notation for 2-(4-propylnonan-5-yl)phenol?
The canonical SMILES for 2-(4-propylnonan-5-yl)phenol is CCCCC(c1ccccc1O)C(CCC)CCC.
What is the InChIKey of 2-(4-propylnonan-5-yl)phenol?
The InChIKey is ZIPDTRQIGBKBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-4-7-12-16(15(10-5-2)11-6-3)17-13-8-9-14-18(17)19/h8-9,13-16,19H,4-7,10-12H2,1-3H3.
What are the key properties of 2-(4-propylnonan-5-yl)phenol?
2-(4-propylnonan-5-yl)phenol has a molecular weight of 262.44 g/mol, XLogP of 5.88, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylnonan-5-yl)phenol is sourced from PubChem (CID 66866241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).