(4-tert-butylphenyl)-(furan-2-yl)methanone;hydrochloride

C15H17ClO2 — CID 70398027

IUPAC(4-tert-butylphenyl)-(furan-2-yl)methanone;hydrochloride
SMILESCC(C)(C)c1ccc(C(=O)c2ccco2)cc1.Cl
InChIInChI=1S/C15H16O2.ClH/c1-15(2,3)12-8-6-11(7-9-12)14(16)13-5-4-10-17-13;/h4-10H,1-3H3;1H
InChIKeyIMOWGHAFSLVSJS-UHFFFAOYSA-N
MW264.75 g/mol
LogP4.23
Rot. Bonds2

About (4-tert-butylphenyl)-(furan-2-yl)methanone;hydrochloride

(4-tert-butylphenyl)-(furan-2-yl)methanone;hydrochloride (PubChem CID 70398027) has the molecular formula C15H17ClO2 and a molecular weight of 264.75 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(furan-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(furan-2-yl)methanone;hydrochloride
PubChem CID70398027
Molecular FormulaC15H17ClO2
Molecular Weight264.75 g/mol
Exact Mass264.09
IUPAC Name(4-tert-butylphenyl)-(furan-2-yl)methanone;hydrochloride
SMILESCC(C)(C)c1ccc(C(=O)c2ccco2)cc1.Cl
InChIInChI=1S/C15H16O2.ClH/c1-15(2,3)12-8-6-11(7-9-12)14(16)13-5-4-10-17-13;/h4-10H,1-3H3;1H
InChIKeyIMOWGHAFSLVSJS-UHFFFAOYSA-N
XLogP4.23
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylphenyl)-(furan-2-yl)methanone
CID 12536587
N-[4-(furan-2-carbonyl)phenyl]-N-methylformamide
CID 43463653
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] furan-2-carboxylate
CID 7814464
furan-2-yl-(1-methylpyrrol-3-yl)methanone
CID 82280498
4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9477234
(4-tert-butylthiadiazol-5-yl)-(furan-2-yl)methanone
CID 105099265
(4-chloro-3-methylphenyl)-(furan-2-yl)methanone
CID 91636318
4-tert-butyl-N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 9366689
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
2-[4-(furan-2-carbonyl)phenoxy]acetic acid
CID 82086021
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
4-tert-butyl-N-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 38911698

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(furan-2-yl)methanone;hydrochloride?
The IUPAC name of (4-tert-butylphenyl)-(furan-2-yl)methanone;hydrochloride (CID 70398027) is (4-tert-butylphenyl)-(furan-2-yl)methanone;hydrochloride.
What is the SMILES notation for (4-tert-butylphenyl)-(furan-2-yl)methanone;hydrochloride?
The canonical SMILES for (4-tert-butylphenyl)-(furan-2-yl)methanone;hydrochloride is CC(C)(C)c1ccc(C(=O)c2ccco2)cc1.Cl.
What is the InChIKey of (4-tert-butylphenyl)-(furan-2-yl)methanone;hydrochloride?
The InChIKey is IMOWGHAFSLVSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.ClH/c1-15(2,3)12-8-6-11(7-9-12)14(16)13-5-4-10-17-13;/h4-10H,1-3H3;1H.
What are the key properties of (4-tert-butylphenyl)-(furan-2-yl)methanone;hydrochloride?
(4-tert-butylphenyl)-(furan-2-yl)methanone;hydrochloride has a molecular weight of 264.75 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(furan-2-yl)methanone;hydrochloride is sourced from PubChem (CID 70398027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).