carbonic acid;1-(2-methylpropyl)-2-phenylbenzene

C17H20O3 — CID 157367920

IUPACcarbonic acid;1-(2-methylpropyl)-2-phenylbenzene
SMILESCC(C)Cc1ccccc1-c1ccccc1.O=C(O)O
InChIInChI=1S/C16H18.CH2O3/c1-13(2)12-15-10-6-7-11-16(15)14-8-4-3-5-9-14;2-1(3)4/h3-11,13H,12H2,1-2H3;(H2,2,3,4)
InChIKeyBJKHDWFUSSNVSG-UHFFFAOYSA-N
MW272.34 g/mol
LogP4.77
Rot. Bonds3

About carbonic acid;1-(2-methylpropyl)-2-phenylbenzene

carbonic acid;1-(2-methylpropyl)-2-phenylbenzene (PubChem CID 157367920) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is carbonic acid;1-(2-methylpropyl)-2-phenylbenzene.

Molecular Properties

Compound Namecarbonic acid;1-(2-methylpropyl)-2-phenylbenzene
PubChem CID157367920
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Namecarbonic acid;1-(2-methylpropyl)-2-phenylbenzene
SMILESCC(C)Cc1ccccc1-c1ccccc1.O=C(O)O
InChIInChI=1S/C16H18.CH2O3/c1-13(2)12-15-10-6-7-11-16(15)14-8-4-3-5-9-14;2-1(3)4/h3-11,13H,12H2,1-2H3;(H2,2,3,4)
InChIKeyBJKHDWFUSSNVSG-UHFFFAOYSA-N
XLogP4.77
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;methane;(2-methyl-1-phenylpropyl)benzene;1-(2-methylpropyl)-2-phenylbenzene
CID 159880007
2-hydroxy-3-(2-phenylphenyl)propanoic acid
CID 150667818
carbonic acid;1-(6-methylheptyl)-2-phenylbenzene
CID 159621881
3-hydroxy-4-(2-phenylphenyl)butanoic acid
CID 53424527
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
1-(2-phenylphenyl)propan-2-yl formate
CID 22558445
1-(2-methylpropyl)-2,3-diphenylbenzene;trihydroxy(sulfanylidene)-λ5-phosphane
CID 161022172
3-(2-phenylphenyl)propane-1,2-diol
CID 154118569
carbonic acid;1-ethyl-2-(2-phenylphenyl)benzene
CID 67179432
1-(2,2-dimethoxyethyl)-2-phenylbenzene
CID 174663950
3-[2-(2-methylpropyl)phenyl]thiophene
CID 58439651
1-methoxy-3-[2-(2-methylpropyl)phenyl]benzene
CID 151214684

Frequently Asked Questions

What is the IUPAC name of carbonic acid;1-(2-methylpropyl)-2-phenylbenzene?
The IUPAC name of carbonic acid;1-(2-methylpropyl)-2-phenylbenzene (CID 157367920) is carbonic acid;1-(2-methylpropyl)-2-phenylbenzene.
What is the SMILES notation for carbonic acid;1-(2-methylpropyl)-2-phenylbenzene?
The canonical SMILES for carbonic acid;1-(2-methylpropyl)-2-phenylbenzene is CC(C)Cc1ccccc1-c1ccccc1.O=C(O)O.
What is the InChIKey of carbonic acid;1-(2-methylpropyl)-2-phenylbenzene?
The InChIKey is BJKHDWFUSSNVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.CH2O3/c1-13(2)12-15-10-6-7-11-16(15)14-8-4-3-5-9-14;2-1(3)4/h3-11,13H,12H2,1-2H3;(H2,2,3,4).
What are the key properties of carbonic acid;1-(2-methylpropyl)-2-phenylbenzene?
carbonic acid;1-(2-methylpropyl)-2-phenylbenzene has a molecular weight of 272.34 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1-(2-methylpropyl)-2-phenylbenzene is sourced from PubChem (CID 157367920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).