carbonic acid;2-(2-methylhexan-2-yl)phenol

C14H22O4 — CID 88685515

IUPACcarbonic acid;2-(2-methylhexan-2-yl)phenol
SMILESCCCCC(C)(C)c1ccccc1O.O=C(O)O
InChIInChI=1S/C13H20O.CH2O3/c1-4-5-10-13(2,3)11-8-6-7-9-12(11)14;2-1(3)4/h6-9,14H,4-5,10H2,1-3H3;(H2,2,3,4)
InChIKeyZYXYDEGXCLTJAJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.08
Rot. Bonds4

About carbonic acid;2-(2-methylhexan-2-yl)phenol

carbonic acid;2-(2-methylhexan-2-yl)phenol (PubChem CID 88685515) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is carbonic acid;2-(2-methylhexan-2-yl)phenol.

Molecular Properties

Compound Namecarbonic acid;2-(2-methylhexan-2-yl)phenol
PubChem CID88685515
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Namecarbonic acid;2-(2-methylhexan-2-yl)phenol
SMILESCCCCC(C)(C)c1ccccc1O.O=C(O)O
InChIInChI=1S/C13H20O.CH2O3/c1-4-5-10-13(2,3)11-8-6-7-9-12(11)14;2-1(3)4/h6-9,14H,4-5,10H2,1-3H3;(H2,2,3,4)
InChIKeyZYXYDEGXCLTJAJ-UHFFFAOYSA-N
XLogP4.08
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-2-(2-hydroxyphenyl)heptanoic acid
CID 87233562
2-[2-(2-hydroxyphenyl)octan-2-yl]phenol
CID 22402788
2-[2-(4-carboxyoctan-4-yl)phenyl]-2-propylhexanoic acid
CID 158765235
2,6-bis(2-methyloctan-2-yl)phenol
CID 87300429
2-hydroxy-6-(2-methylpentan-2-yl)benzoic acid
CID 163862555
2-(2-methylheptan-2-yl)-4-(2-phenylpropan-2-yl)phenol
CID 54404925
1-methyl-2-(2-methylnonan-2-yl)benzene
CID 173398829
2-(2-hydroxyphenyl)-2-methylbutanoic acid
CID 83830636
butyl 2-(2-hydroxyphenyl)-2-methylhexanoate;octadecanoic acid
CID 175494515
3,6-bis(2-methylheptan-2-yl)benzene-1,2-diol
CID 54503359
2-(6-ethylundecan-6-yl)phenol
CID 87183650
2,5-dihydroxy-4-(2-methylheptan-2-yl)benzoic acid
CID 54329774

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-(2-methylhexan-2-yl)phenol?
The IUPAC name of carbonic acid;2-(2-methylhexan-2-yl)phenol (CID 88685515) is carbonic acid;2-(2-methylhexan-2-yl)phenol.
What is the SMILES notation for carbonic acid;2-(2-methylhexan-2-yl)phenol?
The canonical SMILES for carbonic acid;2-(2-methylhexan-2-yl)phenol is CCCCC(C)(C)c1ccccc1O.O=C(O)O.
What is the InChIKey of carbonic acid;2-(2-methylhexan-2-yl)phenol?
The InChIKey is ZYXYDEGXCLTJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O.CH2O3/c1-4-5-10-13(2,3)11-8-6-7-9-12(11)14;2-1(3)4/h6-9,14H,4-5,10H2,1-3H3;(H2,2,3,4).
What are the key properties of carbonic acid;2-(2-methylhexan-2-yl)phenol?
carbonic acid;2-(2-methylhexan-2-yl)phenol has a molecular weight of 254.33 g/mol, XLogP of 4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-(2-methylhexan-2-yl)phenol is sourced from PubChem (CID 88685515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).