2-butan-2-ylphenol;formaldehyde

C11H16O2 — CID 66765994

IUPAC2-butan-2-ylphenol;formaldehyde
SMILESC=O.CCC(C)c1ccccc1O
InChIInChI=1S/C10H14O.CH2O/c1-3-8(2)9-6-4-5-7-10(9)11;1-2/h4-8,11H,3H2,1-2H3;1H2
InChIKeyDDKRGOSVUZJLMR-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.72
Rot. Bonds2

About 2-butan-2-ylphenol;formaldehyde

2-butan-2-ylphenol;formaldehyde (PubChem CID 66765994) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-butan-2-ylphenol;formaldehyde.

Molecular Properties

Compound Name2-butan-2-ylphenol;formaldehyde
PubChem CID66765994
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-butan-2-ylphenol;formaldehyde
SMILESC=O.CCC(C)c1ccccc1O
InChIInChI=1S/C10H14O.CH2O/c1-3-8(2)9-6-4-5-7-10(9)11;1-2/h4-8,11H,3H2,1-2H3;1H2
InChIKeyDDKRGOSVUZJLMR-UHFFFAOYSA-N
XLogP2.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-fluoropropan-2-yl)phenol
CID 19048051
benzene;2,3-di(butan-2-yl)phenol
CID 67178643
2-(1-aminopropan-2-yl)phenol
CID 3028046
2,8-bis(2-hydroxyphenyl)nonan-5-one
CID 150620616
1-butan-2-yl-2-propan-2-ylbenzene;ethane
CID 143715642
1-butan-2-yl-2-[(2-butan-2-ylphenyl)disulfanyl]benzene
CID 87179249
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
2-hept-5-en-2-ylphenol
CID 151668072
2-pent-1-en-3-ylphenol
CID 13031544
5-butan-2-yl-2-[(2S)-butan-2-yl]phenol
CID 71088611
2-(6-methylheptan-2-yl)phenol
CID 163037790
N-(2-butan-2-ylphenyl)pentan-2-imine
CID 177056586

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylphenol;formaldehyde?
The IUPAC name of 2-butan-2-ylphenol;formaldehyde (CID 66765994) is 2-butan-2-ylphenol;formaldehyde.
What is the SMILES notation for 2-butan-2-ylphenol;formaldehyde?
The canonical SMILES for 2-butan-2-ylphenol;formaldehyde is C=O.CCC(C)c1ccccc1O.
What is the InChIKey of 2-butan-2-ylphenol;formaldehyde?
The InChIKey is DDKRGOSVUZJLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.CH2O/c1-3-8(2)9-6-4-5-7-10(9)11;1-2/h4-8,11H,3H2,1-2H3;1H2.
What are the key properties of 2-butan-2-ylphenol;formaldehyde?
2-butan-2-ylphenol;formaldehyde has a molecular weight of 180.25 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylphenol;formaldehyde is sourced from PubChem (CID 66765994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).