2-hexan-2-yl-4,6-di(propan-2-yl)phenol

C18H30O — CID 154085005

IUPAC2-hexan-2-yl-4,6-di(propan-2-yl)phenol
SMILESCCCCC(C)c1cc(C(C)C)cc(C(C)C)c1O
InChIInChI=1S/C18H30O/c1-7-8-9-14(6)17-11-15(12(2)3)10-16(13(4)5)18(17)19/h10-14,19H,7-9H2,1-6H3
InChIKeyCBGQRQDHXZTNFR-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.93
Rot. Bonds6

About 2-hexan-2-yl-4,6-di(propan-2-yl)phenol

2-hexan-2-yl-4,6-di(propan-2-yl)phenol (PubChem CID 154085005) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-hexan-2-yl-4,6-di(propan-2-yl)phenol.

Molecular Properties

Compound Name2-hexan-2-yl-4,6-di(propan-2-yl)phenol
PubChem CID154085005
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name2-hexan-2-yl-4,6-di(propan-2-yl)phenol
SMILESCCCCC(C)c1cc(C(C)C)cc(C(C)C)c1O
InChIInChI=1S/C18H30O/c1-7-8-9-14(6)17-11-15(12(2)3)10-16(13(4)5)18(17)19/h10-14,19H,7-9H2,1-6H3
InChIKeyCBGQRQDHXZTNFR-UHFFFAOYSA-N
XLogP5.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858
4-butyl-2,6-di(icosan-2-yl)phenol
CID 21499273
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CID 21499301
2-chloro-6-hexan-2-yl-4-methylphenol
CID 71385576
3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]icosanoic acid
CID 118862054
2-butan-2-yl-4-tert-butyl-6-tetradecan-2-ylphenol
CID 18961291
2,4-dimethyl-6-triacontan-2-ylphenol
CID 19904487
3-hexan-2-yl-2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 150931941
1-hexan-2-yl-4-propan-2-ylbenzene
CID 139769010
2-(4-aminobutan-2-yl)-6-bromo-4-propan-2-ylphenol
CID 117461468
4-hexan-2-ylbenzene-1,3-diol
CID 66695243
4-ethyl-2,6-di(propan-2-yl)phenol
CID 3058292

Frequently Asked Questions

What is the IUPAC name of 2-hexan-2-yl-4,6-di(propan-2-yl)phenol?
The IUPAC name of 2-hexan-2-yl-4,6-di(propan-2-yl)phenol (CID 154085005) is 2-hexan-2-yl-4,6-di(propan-2-yl)phenol.
What is the SMILES notation for 2-hexan-2-yl-4,6-di(propan-2-yl)phenol?
The canonical SMILES for 2-hexan-2-yl-4,6-di(propan-2-yl)phenol is CCCCC(C)c1cc(C(C)C)cc(C(C)C)c1O.
What is the InChIKey of 2-hexan-2-yl-4,6-di(propan-2-yl)phenol?
The InChIKey is CBGQRQDHXZTNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-7-8-9-14(6)17-11-15(12(2)3)10-16(13(4)5)18(17)19/h10-14,19H,7-9H2,1-6H3.
What are the key properties of 2-hexan-2-yl-4,6-di(propan-2-yl)phenol?
2-hexan-2-yl-4,6-di(propan-2-yl)phenol has a molecular weight of 262.44 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-2-yl-4,6-di(propan-2-yl)phenol is sourced from PubChem (CID 154085005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).