2-butan-2-yl-6-[1-(3-butan-2-yl-5-chloro-2-hydroxyphenyl)propyl]-4-chlorophenol

C23H30Cl2O2 — CID 57082444

IUPAC2-butan-2-yl-6-[1-(3-butan-2-yl-5-chloro-2-hydroxyphenyl)propyl]-4-chlorophenol
SMILESCCC(C)c1cc(Cl)cc(C(CC)c2cc(Cl)cc(C(C)CC)c2O)c1O
InChIInChI=1S/C23H30Cl2O2/c1-6-13(4)18-9-15(24)11-20(22(18)26)17(8-3)21-12-16(25)10-19(23(21)27)14(5)7-2/h9-14,17,26-27H,6-8H2,1-5H3
InChIKeyLKQGDPWGFLFYHN-UHFFFAOYSA-N
MW409.40 g/mol
LogP7.97
Rot. Bonds7

About 2-butan-2-yl-6-[1-(3-butan-2-yl-5-chloro-2-hydroxyphenyl)propyl]-4-chlorophenol

2-butan-2-yl-6-[1-(3-butan-2-yl-5-chloro-2-hydroxyphenyl)propyl]-4-chlorophenol (PubChem CID 57082444) has the molecular formula C23H30Cl2O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is 2-butan-2-yl-6-[1-(3-butan-2-yl-5-chloro-2-hydroxyphenyl)propyl]-4-chlorophenol.

Molecular Properties

Compound Name2-butan-2-yl-6-[1-(3-butan-2-yl-5-chloro-2-hydroxyphenyl)propyl]-4-chlorophenol
PubChem CID57082444
Molecular FormulaC23H30Cl2O2
Molecular Weight409.40 g/mol
Exact Mass408.16
IUPAC Name2-butan-2-yl-6-[1-(3-butan-2-yl-5-chloro-2-hydroxyphenyl)propyl]-4-chlorophenol
SMILESCCC(C)c1cc(Cl)cc(C(CC)c2cc(Cl)cc(C(C)CC)c2O)c1O
InChIInChI=1S/C23H30Cl2O2/c1-6-13(4)18-9-15(24)11-20(22(18)26)17(8-3)21-12-16(25)10-19(23(21)27)14(5)7-2/h9-14,17,26-27H,6-8H2,1-5H3
InChIKeyLKQGDPWGFLFYHN-UHFFFAOYSA-N
XLogP7.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.40
LogP ≤ 57.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2,6-bis(1-hydroxyethyl)phenol
CID 21162833
4-chloro-2,6-bis(1-ethoxyethyl)phenol
CID 22323621
2,6-di(butan-2-yl)-4-butylphenol
CID 66619822
2-butan-2-yl-4-fluoro-6-propan-2-ylphenol
CID 25134493
6-butan-2-yl-3-(chloromethyl)-2,4-dimethylphenol
CID 139881036
3-butan-2-yl-5-chloropyridine-2-carboxylic acid
CID 66931655
5-butan-2-ylbenzene-1,2,4-triol
CID 22895392
4-butan-2-yl-2-chloro-5-methylphenol
CID 71372422
4-butan-2-yl-2-chloro-3-methylphenol
CID 130032518
4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol
CID 71369615
2-butan-2-yl-6-[(3-butan-2-yl-5-ethyl-2-hydroxyphenyl)disulfanyl]-4-ethylphenol
CID 21499302
1-butan-2-yl-4-chloro-2-fluorobenzene
CID 54159004

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-6-[1-(3-butan-2-yl-5-chloro-2-hydroxyphenyl)propyl]-4-chlorophenol?
The IUPAC name of 2-butan-2-yl-6-[1-(3-butan-2-yl-5-chloro-2-hydroxyphenyl)propyl]-4-chlorophenol (CID 57082444) is 2-butan-2-yl-6-[1-(3-butan-2-yl-5-chloro-2-hydroxyphenyl)propyl]-4-chlorophenol.
What is the SMILES notation for 2-butan-2-yl-6-[1-(3-butan-2-yl-5-chloro-2-hydroxyphenyl)propyl]-4-chlorophenol?
The canonical SMILES for 2-butan-2-yl-6-[1-(3-butan-2-yl-5-chloro-2-hydroxyphenyl)propyl]-4-chlorophenol is CCC(C)c1cc(Cl)cc(C(CC)c2cc(Cl)cc(C(C)CC)c2O)c1O.
What is the InChIKey of 2-butan-2-yl-6-[1-(3-butan-2-yl-5-chloro-2-hydroxyphenyl)propyl]-4-chlorophenol?
The InChIKey is LKQGDPWGFLFYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30Cl2O2/c1-6-13(4)18-9-15(24)11-20(22(18)26)17(8-3)21-12-16(25)10-19(23(21)27)14(5)7-2/h9-14,17,26-27H,6-8H2,1-5H3.
What are the key properties of 2-butan-2-yl-6-[1-(3-butan-2-yl-5-chloro-2-hydroxyphenyl)propyl]-4-chlorophenol?
2-butan-2-yl-6-[1-(3-butan-2-yl-5-chloro-2-hydroxyphenyl)propyl]-4-chlorophenol has a molecular weight of 409.40 g/mol, XLogP of 7.97, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-6-[1-(3-butan-2-yl-5-chloro-2-hydroxyphenyl)propyl]-4-chlorophenol is sourced from PubChem (CID 57082444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).