benzene;2,3-di(butan-2-yl)phenol

C20H28O — CID 67178643

IUPACbenzene;2,3-di(butan-2-yl)phenol
SMILESCCC(C)c1cccc(O)c1C(C)CC.c1ccccc1
InChIInChI=1S/C14H22O.C6H6/c1-5-10(3)12-8-7-9-13(15)14(12)11(4)6-2;1-2-4-6-5-3-1/h7-11,15H,5-6H2,1-4H3;1-6H
InChIKeyBAIYIOAOIVVBFS-UHFFFAOYSA-N
MW284.44 g/mol
LogP6.11
Rot. Bonds4

About benzene;2,3-di(butan-2-yl)phenol

benzene;2,3-di(butan-2-yl)phenol (PubChem CID 67178643) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is benzene;2,3-di(butan-2-yl)phenol.

Molecular Properties

Compound Namebenzene;2,3-di(butan-2-yl)phenol
PubChem CID67178643
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Namebenzene;2,3-di(butan-2-yl)phenol
SMILESCCC(C)c1cccc(O)c1C(C)CC.c1ccccc1
InChIInChI=1S/C14H22O.C6H6/c1-5-10(3)12-8-7-9-13(15)14(12)11(4)6-2;1-2-4-6-5-3-1/h7-11,15H,5-6H2,1-4H3;1-6H
InChIKeyBAIYIOAOIVVBFS-UHFFFAOYSA-N
XLogP6.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.44
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-butan-2-yl-3-hydroxybenzoic acid
CID 67715219
2-butan-2-ylphenol;formaldehyde
CID 66765994
2,3,6-tri(butan-2-yl)phenol
CID 101292764
[2,3-di(butan-2-yl)phenyl]-phenylmethanone
CID 67337548
2-amino-6-butan-2-ylphenol
CID 14993637
2-butan-2-yl-6-iodophenol
CID 11242844
2,3,4,5-tetra(butan-2-yl)phenol
CID 21315496
2,3-bis[1-(2-ethylphenyl)propan-2-yl]phenol
CID 67182449
3-butan-2-yl-2-hydroxybenzonitrile
CID 67236185
2-butan-2-yl-6-(trifluoromethyl)phenol
CID 10214490
3-[(1R)-1-hydroxypropyl]benzene-1,2-diol
CID 11229010
2-butan-2-yl-6-cyclopropylphenol
CID 3058303

Frequently Asked Questions

What is the IUPAC name of benzene;2,3-di(butan-2-yl)phenol?
The IUPAC name of benzene;2,3-di(butan-2-yl)phenol (CID 67178643) is benzene;2,3-di(butan-2-yl)phenol.
What is the SMILES notation for benzene;2,3-di(butan-2-yl)phenol?
The canonical SMILES for benzene;2,3-di(butan-2-yl)phenol is CCC(C)c1cccc(O)c1C(C)CC.c1ccccc1.
What is the InChIKey of benzene;2,3-di(butan-2-yl)phenol?
The InChIKey is BAIYIOAOIVVBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.C6H6/c1-5-10(3)12-8-7-9-13(15)14(12)11(4)6-2;1-2-4-6-5-3-1/h7-11,15H,5-6H2,1-4H3;1-6H.
What are the key properties of benzene;2,3-di(butan-2-yl)phenol?
benzene;2,3-di(butan-2-yl)phenol has a molecular weight of 284.44 g/mol, XLogP of 6.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2,3-di(butan-2-yl)phenol is sourced from PubChem (CID 67178643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).