2-(2-cyclohexylphenyl)propan-2-yl hydrogen carbonate

C16H22O3 — CID 67161464

IUPAC2-(2-cyclohexylphenyl)propan-2-yl hydrogen carbonate
SMILESCC(C)(OC(=O)O)c1ccccc1C1CCCCC1
InChIInChI=1S/C16H22O3/c1-16(2,19-15(17)18)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyBUPXMKJFABYNEQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.66
Rot. Bonds3

About 2-(2-cyclohexylphenyl)propan-2-yl hydrogen carbonate

2-(2-cyclohexylphenyl)propan-2-yl hydrogen carbonate (PubChem CID 67161464) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(2-cyclohexylphenyl)propan-2-yl hydrogen carbonate.

Molecular Properties

Compound Name2-(2-cyclohexylphenyl)propan-2-yl hydrogen carbonate
PubChem CID67161464
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-(2-cyclohexylphenyl)propan-2-yl hydrogen carbonate
SMILESCC(C)(OC(=O)O)c1ccccc1C1CCCCC1
InChIInChI=1S/C16H22O3/c1-16(2,19-15(17)18)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyBUPXMKJFABYNEQ-UHFFFAOYSA-N
XLogP4.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylphenyl)propan-2-yl hydrogen carbonate?
The IUPAC name of 2-(2-cyclohexylphenyl)propan-2-yl hydrogen carbonate (CID 67161464) is 2-(2-cyclohexylphenyl)propan-2-yl hydrogen carbonate.
What is the SMILES notation for 2-(2-cyclohexylphenyl)propan-2-yl hydrogen carbonate?
The canonical SMILES for 2-(2-cyclohexylphenyl)propan-2-yl hydrogen carbonate is CC(C)(OC(=O)O)c1ccccc1C1CCCCC1.
What is the InChIKey of 2-(2-cyclohexylphenyl)propan-2-yl hydrogen carbonate?
The InChIKey is BUPXMKJFABYNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-16(2,19-15(17)18)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-cyclohexylphenyl)propan-2-yl hydrogen carbonate?
2-(2-cyclohexylphenyl)propan-2-yl hydrogen carbonate has a molecular weight of 262.35 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylphenyl)propan-2-yl hydrogen carbonate is sourced from PubChem (CID 67161464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).